N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine

C17H37N — CID 4618605

IUPACN-(2,4,4-trimethylpentan-2-yl)nonan-1-amine
SMILESCCCCCCCCCNC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H37N/c1-7-8-9-10-11-12-13-14-18-17(5,6)15-16(2,3)4/h18H,7-15H2,1-6H3
InChIKeyMICUOSXOJDBBKA-UHFFFAOYSA-N
MW255.49 g/mol
LogP5.54
Rot. Bonds10

About N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine

N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine (PubChem CID 4618605) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine.

Molecular Properties

Compound NameN-(2,4,4-trimethylpentan-2-yl)nonan-1-amine
PubChem CID4618605
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC NameN-(2,4,4-trimethylpentan-2-yl)nonan-1-amine
SMILESCCCCCCCCCNC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H37N/c1-7-8-9-10-11-12-13-14-18-17(5,6)15-16(2,3)4/h18H,7-15H2,1-6H3
InChIKeyMICUOSXOJDBBKA-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 55.54
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

N-(2-methylbutan-2-yl)hexadecan-1-amine
CID 20511004
N-tert-butylnonadecan-1-amine
CID 87846739
N-(1-chloro-2-methylpropan-2-yl)hexan-1-amine
CID 65026682
N-(4-methoxybutyl)-2,4,4-trimethylpentan-2-amine
CID 115634032
1-(dodecylamino)ethane-1,1-diol
CID 23198053
N-tert-butyltetradecan-1-amine;hydrochloride
CID 173037604
1,1-bis(octylamino)ethanol
CID 87347011
N-(1-methoxy-2-methylpropan-2-yl)hexan-1-amine
CID 115644983
N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine
CID 79257058
N-heptyl-5-methylnonan-5-amine
CID 126560493
N-(2-bromoethyl)-2,4,4-trimethylpentan-2-amine
CID 91622619
N-(trifluoromethyl)hexadecan-1-amine
CID 158402254

Frequently Asked Questions

What is the IUPAC name of N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine?
The IUPAC name of N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine (CID 4618605) is N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine.
What is the SMILES notation for N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine?
The canonical SMILES for N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine is CCCCCCCCCNC(C)(C)CC(C)(C)C.
What is the InChIKey of N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine?
The InChIKey is MICUOSXOJDBBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N/c1-7-8-9-10-11-12-13-14-18-17(5,6)15-16(2,3)4/h18H,7-15H2,1-6H3.
What are the key properties of N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine?
N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine has a molecular weight of 255.49 g/mol, XLogP of 5.54, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine is sourced from PubChem (CID 4618605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).