N-heptyl-5-methylnonan-5-amine

C17H37N — CID 126560493

IUPACN-heptyl-5-methylnonan-5-amine
SMILESCCCCCCCNC(C)(CCCC)CCCC
InChIInChI=1S/C17H37N/c1-5-8-11-12-13-16-18-17(4,14-9-6-2)15-10-7-3/h18H,5-16H2,1-4H3
InChIKeyMMHKRTHYNTTWLA-UHFFFAOYSA-N
MW255.49 g/mol
LogP5.69
Rot. Bonds13

About N-heptyl-5-methylnonan-5-amine

N-heptyl-5-methylnonan-5-amine (PubChem CID 126560493) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is N-heptyl-5-methylnonan-5-amine.

Molecular Properties

Compound NameN-heptyl-5-methylnonan-5-amine
PubChem CID126560493
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC NameN-heptyl-5-methylnonan-5-amine
SMILESCCCCCCCNC(C)(CCCC)CCCC
InChIInChI=1S/C17H37N/c1-5-8-11-12-13-16-18-17(4,14-9-6-2)15-10-7-3/h18H,5-16H2,1-4H3
InChIKeyMMHKRTHYNTTWLA-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-3-(octylamino)pentane-1,5-diol
CID 54557477
N-[(3R)-3-methylhexan-3-yl]dodecan-1-amine
CID 163587964
7-butyl-7-methyl-1-(6-methyltridecan-6-ylamino)undecan-6-one
CID 139454044
N-ethyl-7-methyltetradecan-7-amine
CID 593697
N-tert-butylnonadecan-1-amine
CID 87846739
2-(hexylamino)-2-methylbutan-1-ol
CID 64550569
1-(dodecylamino)ethane-1,1-diol
CID 23198053
N-(2-methylbutan-2-yl)hexadecan-1-amine
CID 20511004
N-tert-butyltetradecan-1-amine;hydrochloride
CID 173037604
1,1-bis(octylamino)ethanol
CID 87347011
N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine
CID 4618605
N-(1-chloro-2-methylpropan-2-yl)hexan-1-amine
CID 65026682

Frequently Asked Questions

What is the IUPAC name of N-heptyl-5-methylnonan-5-amine?
The IUPAC name of N-heptyl-5-methylnonan-5-amine (CID 126560493) is N-heptyl-5-methylnonan-5-amine.
What is the SMILES notation for N-heptyl-5-methylnonan-5-amine?
The canonical SMILES for N-heptyl-5-methylnonan-5-amine is CCCCCCCNC(C)(CCCC)CCCC.
What is the InChIKey of N-heptyl-5-methylnonan-5-amine?
The InChIKey is MMHKRTHYNTTWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N/c1-5-8-11-12-13-16-18-17(4,14-9-6-2)15-10-7-3/h18H,5-16H2,1-4H3.
What are the key properties of N-heptyl-5-methylnonan-5-amine?
N-heptyl-5-methylnonan-5-amine has a molecular weight of 255.49 g/mol, XLogP of 5.69, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-5-methylnonan-5-amine is sourced from PubChem (CID 126560493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).