N,2,7,8,8-pentamethyl-5,6-dimethylidenedecan-1-amine

C17H33N — CID 90699122

IUPACN,2,7,8,8-pentamethyl-5,6-dimethylidenedecan-1-amine
SMILESC=C(CCC(C)CNC)C(=C)C(C)C(C)(C)CC
InChIInChI=1S/C17H33N/c1-9-17(6,7)16(5)15(4)14(3)11-10-13(2)12-18-8/h13,16,18H,3-4,9-12H2,1-2,5-8H3
InChIKeyMDMWDPVEGVUFTN-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.81
Rot. Bonds9

About N,2,7,8,8-pentamethyl-5,6-dimethylidenedecan-1-amine

N,2,7,8,8-pentamethyl-5,6-dimethylidenedecan-1-amine (PubChem CID 90699122) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N,2,7,8,8-pentamethyl-5,6-dimethylidenedecan-1-amine.

Molecular Properties

Compound NameN,2,7,8,8-pentamethyl-5,6-dimethylidenedecan-1-amine
PubChem CID90699122
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN,2,7,8,8-pentamethyl-5,6-dimethylidenedecan-1-amine
SMILESC=C(CCC(C)CNC)C(=C)C(C)C(C)(C)CC
InChIInChI=1S/C17H33N/c1-9-17(6,7)16(5)15(4)14(3)11-10-13(2)12-18-8/h13,16,18H,3-4,9-12H2,1-2,5-8H3
InChIKeyMDMWDPVEGVUFTN-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2,7,8,8-pentamethyl-5,6-dimethylidenedecan-1-amine?
The IUPAC name of N,2,7,8,8-pentamethyl-5,6-dimethylidenedecan-1-amine (CID 90699122) is N,2,7,8,8-pentamethyl-5,6-dimethylidenedecan-1-amine.
What is the SMILES notation for N,2,7,8,8-pentamethyl-5,6-dimethylidenedecan-1-amine?
The canonical SMILES for N,2,7,8,8-pentamethyl-5,6-dimethylidenedecan-1-amine is C=C(CCC(C)CNC)C(=C)C(C)C(C)(C)CC.
What is the InChIKey of N,2,7,8,8-pentamethyl-5,6-dimethylidenedecan-1-amine?
The InChIKey is MDMWDPVEGVUFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-9-17(6,7)16(5)15(4)14(3)11-10-13(2)12-18-8/h13,16,18H,3-4,9-12H2,1-2,5-8H3.
What are the key properties of N,2,7,8,8-pentamethyl-5,6-dimethylidenedecan-1-amine?
N,2,7,8,8-pentamethyl-5,6-dimethylidenedecan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,7,8,8-pentamethyl-5,6-dimethylidenedecan-1-amine is sourced from PubChem (CID 90699122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).