N,4,5,8,10-pentamethyldodec-2-en-6-amine

C17H35N — CID 123881370

IUPACN,4,5,8,10-pentamethyldodec-2-en-6-amine
SMILESCC=CC(C)C(C)C(CC(C)CC(C)CC)NC
InChIInChI=1S/C17H35N/c1-8-10-15(5)16(6)17(18-7)12-14(4)11-13(3)9-2/h8,10,13-18H,9,11-12H2,1-7H3
InChIKeyXMCCDZXURRHJCL-UHFFFAOYSA-N
MW253.47 g/mol
LogP4.89
Rot. Bonds9

About N,4,5,8,10-pentamethyldodec-2-en-6-amine

N,4,5,8,10-pentamethyldodec-2-en-6-amine (PubChem CID 123881370) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N,4,5,8,10-pentamethyldodec-2-en-6-amine.

Molecular Properties

Compound NameN,4,5,8,10-pentamethyldodec-2-en-6-amine
PubChem CID123881370
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN,4,5,8,10-pentamethyldodec-2-en-6-amine
SMILESCC=CC(C)C(C)C(CC(C)CC(C)CC)NC
InChIInChI=1S/C17H35N/c1-8-10-15(5)16(6)17(18-7)12-14(4)11-13(3)9-2/h8,10,13-18H,9,11-12H2,1-7H3
InChIKeyXMCCDZXURRHJCL-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-[1,7-di(cyclohex-3-en-1-yl)heptan-4-ylamino]propyl]propane-1,3-diamine;hydrochloride
CID 90674841
N-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine
CID 2855350
Ethylamine, N-allyl-2-(2-cyclopentenyl)-1-methyl-
CID 49661
Ethylamine, 2-(2-cyclopentenyl)-N,1-dimethyl-
CID 49662
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propylbutan-1-amine
CID 24850676
(4R)-1-N-[3-(cycloheptylmethylamino)propyl]cyclohept-2-ene-1,4-diamine
CID 44288208
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
[(2,4-Dimethylcyclohex-3-en-1-yl)methyl](methyl)amine
CID 177798578
(1R,4S)-N1-[3-(cycloheptylmethylamino)propyl]cyclohept-2-ene-1,4-diamine
CID 487179
4-[2,6-Bis(2-methyl-2-propen-1-yl)-1,2,3,6-tetrahydro-4-pyridinyl]-1,6-heptadien-4-amine
CID 5018062
N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexylpentan-2-amine
CID 172469915
(3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine
CID 71165840

Frequently Asked Questions

What is the IUPAC name of N,4,5,8,10-pentamethyldodec-2-en-6-amine?
The IUPAC name of N,4,5,8,10-pentamethyldodec-2-en-6-amine (CID 123881370) is N,4,5,8,10-pentamethyldodec-2-en-6-amine.
What is the SMILES notation for N,4,5,8,10-pentamethyldodec-2-en-6-amine?
The canonical SMILES for N,4,5,8,10-pentamethyldodec-2-en-6-amine is CC=CC(C)C(C)C(CC(C)CC(C)CC)NC.
What is the InChIKey of N,4,5,8,10-pentamethyldodec-2-en-6-amine?
The InChIKey is XMCCDZXURRHJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-8-10-15(5)16(6)17(18-7)12-14(4)11-13(3)9-2/h8,10,13-18H,9,11-12H2,1-7H3.
What are the key properties of N,4,5,8,10-pentamethyldodec-2-en-6-amine?
N,4,5,8,10-pentamethyldodec-2-en-6-amine has a molecular weight of 253.47 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,5,8,10-pentamethyldodec-2-en-6-amine is sourced from PubChem (CID 123881370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).