N-(3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-henicosamethyltetradecan-2-yl)-1,2,2,3,3-pentamethyl-5-methylidenecyclopentan-1-amine

C46H91N — CID 59870401

IUPACN-(3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-henicosamethyltetradecan-2-yl)-1,2,2,3,3-pentamethyl-5-methylidenecyclopentan-1-amine
SMILESC=C1CC(C)(C)C(C)(C)C1(C)NC(C)C(C)(C)C(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C46H91N/c1-31-30-35(7,8)39(15,16)46(31,29)47-33(3)36(9,10)32(2)37(11,12)40(17,18)42(21,22)44(25,26)45(27,28)43(23,24)41(19,20)38(13,14)34(4,5)6/h32-33,47H,1,30H2,2-29H3
InChIKeyHMAZDWOTJTXQLG-UHFFFAOYSA-N
MW658.24 g/mol
LogP14.65
Rot. Bonds12

About N-(3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-henicosamethyltetradecan-2-yl)-1,2,2,3,3-pentamethyl-5-methylidenecyclopentan-1-amine

N-(3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-henicosamethyltetradecan-2-yl)-1,2,2,3,3-pentamethyl-5-methylidenecyclopentan-1-amine (PubChem CID 59870401) has the molecular formula C46H91N and a molecular weight of 658.24 g/mol. Its IUPAC name is N-(3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-henicosamethyltetradecan-2-yl)-1,2,2,3,3-pentamethyl-5-methylidenecyclopentan-1-amine.

Molecular Properties

Compound NameN-(3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-henicosamethyltetradecan-2-yl)-1,2,2,3,3-pentamethyl-5-methylidenecyclopentan-1-amine
PubChem CID59870401
Molecular FormulaC46H91N
Molecular Weight658.24 g/mol
Exact Mass657.72
IUPAC NameN-(3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-henicosamethyltetradecan-2-yl)-1,2,2,3,3-pentamethyl-5-methylidenecyclopentan-1-amine
SMILESC=C1CC(C)(C)C(C)(C)C1(C)NC(C)C(C)(C)C(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C46H91N/c1-31-30-35(7,8)39(15,16)46(31,29)47-33(3)36(9,10)32(2)37(11,12)40(17,18)42(21,22)44(25,26)45(27,28)43(23,24)41(19,20)38(13,14)34(4,5)6/h32-33,47H,1,30H2,2-29H3
InChIKeyHMAZDWOTJTXQLG-UHFFFAOYSA-N
XLogP14.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.24
LogP ≤ 514.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-henicosamethyltetradecan-2-yl)-1,2,2,3,3-pentamethyl-5-methylidenecyclopentan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-henicosamethyltetradecan-2-yl)-1,2,2,3,3-pentamethyl-5-methylidenecyclopentan-1-amine?
The IUPAC name of N-(3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-henicosamethyltetradecan-2-yl)-1,2,2,3,3-pentamethyl-5-methylidenecyclopentan-1-amine (CID 59870401) is N-(3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-henicosamethyltetradecan-2-yl)-1,2,2,3,3-pentamethyl-5-methylidenecyclopentan-1-amine.
What is the SMILES notation for N-(3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-henicosamethyltetradecan-2-yl)-1,2,2,3,3-pentamethyl-5-methylidenecyclopentan-1-amine?
The canonical SMILES for N-(3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-henicosamethyltetradecan-2-yl)-1,2,2,3,3-pentamethyl-5-methylidenecyclopentan-1-amine is C=C1CC(C)(C)C(C)(C)C1(C)NC(C)C(C)(C)C(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C.
What is the InChIKey of N-(3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-henicosamethyltetradecan-2-yl)-1,2,2,3,3-pentamethyl-5-methylidenecyclopentan-1-amine?
The InChIKey is HMAZDWOTJTXQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H91N/c1-31-30-35(7,8)39(15,16)46(31,29)47-33(3)36(9,10)32(2)37(11,12)40(17,18)42(21,22)44(25,26)45(27,28)43(23,24)41(19,20)38(13,14)34(4,5)6/h32-33,47H,1,30H2,2-29H3.
What are the key properties of N-(3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-henicosamethyltetradecan-2-yl)-1,2,2,3,3-pentamethyl-5-methylidenecyclopentan-1-amine?
N-(3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-henicosamethyltetradecan-2-yl)-1,2,2,3,3-pentamethyl-5-methylidenecyclopentan-1-amine has a molecular weight of 658.24 g/mol, XLogP of 14.65, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-henicosamethyltetradecan-2-yl)-1,2,2,3,3-pentamethyl-5-methylidenecyclopentan-1-amine is sourced from PubChem (CID 59870401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).