N,N-di(propan-2-yl)heptadecan-1-amine

C23H49N — CID 138744995

IUPACN,N-di(propan-2-yl)heptadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCN(C(C)C)C(C)C
InChIInChI=1S/C23H49N/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(22(2)3)23(4)5/h22-23H,6-21H2,1-5H3
InChIKeySQISLXGMFSPUTO-UHFFFAOYSA-N
MW339.65 g/mol
LogP7.98
Rot. Bonds18

About N,N-di(propan-2-yl)heptadecan-1-amine

N,N-di(propan-2-yl)heptadecan-1-amine (PubChem CID 138744995) has the molecular formula C23H49N and a molecular weight of 339.65 g/mol. Its IUPAC name is N,N-di(propan-2-yl)heptadecan-1-amine.

Molecular Properties

Compound NameN,N-di(propan-2-yl)heptadecan-1-amine
PubChem CID138744995
Molecular FormulaC23H49N
Molecular Weight339.65 g/mol
Exact Mass339.39
IUPAC NameN,N-di(propan-2-yl)heptadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCN(C(C)C)C(C)C
InChIInChI=1S/C23H49N/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(22(2)3)23(4)5/h22-23H,6-21H2,1-5H3
InChIKeySQISLXGMFSPUTO-UHFFFAOYSA-N
XLogP7.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.65
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-di(propan-2-yl)butan-1-amine
CID 11062646
N,N-dibutyl-N',N'-di(propan-2-yl)tetradecane-1,14-diamine
CID 91807307
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
2-methyl-3-N-pentyl-3-N-propan-2-ylbutane-1,3-diamine
CID 79409903
ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410
1-hexyl-1-propan-2-ylhydrazine
CID 89311087
N-nonan-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43129707
N',N'-di(propan-2-yl)butane-1,4-diamine
CID 15365351
1-chloro-1-[(1-chloro-2-hydroxypropyl)-octadecylamino]propan-2-ol
CID 141483918
6-[di(propan-2-yl)amino]hexanenitrile
CID 151784240
N,N-di(propan-2-yl)-5-(2,4,6-trioxo-4,6-dipropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)pentan-1-amine
CID 135291805

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)heptadecan-1-amine?
The IUPAC name of N,N-di(propan-2-yl)heptadecan-1-amine (CID 138744995) is N,N-di(propan-2-yl)heptadecan-1-amine.
What is the SMILES notation for N,N-di(propan-2-yl)heptadecan-1-amine?
The canonical SMILES for N,N-di(propan-2-yl)heptadecan-1-amine is CCCCCCCCCCCCCCCCCN(C(C)C)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)heptadecan-1-amine?
The InChIKey is SQISLXGMFSPUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49N/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(22(2)3)23(4)5/h22-23H,6-21H2,1-5H3.
What are the key properties of N,N-di(propan-2-yl)heptadecan-1-amine?
N,N-di(propan-2-yl)heptadecan-1-amine has a molecular weight of 339.65 g/mol, XLogP of 7.98, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)heptadecan-1-amine is sourced from PubChem (CID 138744995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).