N-(4-propan-2-yloxybutyl)decan-1-amine

C17H37NO — CID 106007607

IUPACN-(4-propan-2-yloxybutyl)decan-1-amine
SMILESCCCCCCCCCCNCCCCOC(C)C
InChIInChI=1S/C17H37NO/c1-4-5-6-7-8-9-10-11-14-18-15-12-13-16-19-17(2)3/h17-18H,4-16H2,1-3H3
InChIKeyQTIVVBVHNYNIBK-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.92
Rot. Bonds15

About N-(4-propan-2-yloxybutyl)decan-1-amine

N-(4-propan-2-yloxybutyl)decan-1-amine (PubChem CID 106007607) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is N-(4-propan-2-yloxybutyl)decan-1-amine.

Molecular Properties

Compound NameN-(4-propan-2-yloxybutyl)decan-1-amine
PubChem CID106007607
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC NameN-(4-propan-2-yloxybutyl)decan-1-amine
SMILESCCCCCCCCCCNCCCCOC(C)C
InChIInChI=1S/C17H37NO/c1-4-5-6-7-8-9-10-11-14-18-15-12-13-16-19-17(2)3/h17-18H,4-16H2,1-3H3
InChIKeyQTIVVBVHNYNIBK-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-propan-2-yloxy-N-(2-undecoxyethyl)propan-1-amine
CID 22091458
N-hexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81068895
1-(4-propan-2-yloxybutoxy)tetradecane
CID 167327232
azane;1-propan-2-yloxydodecane;sulfuric acid
CID 175080413
N-(2-ethylsulfonylethyl)-4-propan-2-yloxybutan-1-amine
CID 106010216
1,6-di(propan-2-yloxy)hexane
CID 10899702
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N,N'-diheptylhexane-1,6-diamine
CID 3028571
4-(4-propan-2-yloxybutylamino)butan-2-ol
CID 106009786

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yloxybutyl)decan-1-amine?
The IUPAC name of N-(4-propan-2-yloxybutyl)decan-1-amine (CID 106007607) is N-(4-propan-2-yloxybutyl)decan-1-amine.
What is the SMILES notation for N-(4-propan-2-yloxybutyl)decan-1-amine?
The canonical SMILES for N-(4-propan-2-yloxybutyl)decan-1-amine is CCCCCCCCCCNCCCCOC(C)C.
What is the InChIKey of N-(4-propan-2-yloxybutyl)decan-1-amine?
The InChIKey is QTIVVBVHNYNIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-4-5-6-7-8-9-10-11-14-18-15-12-13-16-19-17(2)3/h17-18H,4-16H2,1-3H3.
What are the key properties of N-(4-propan-2-yloxybutyl)decan-1-amine?
N-(4-propan-2-yloxybutyl)decan-1-amine has a molecular weight of 271.49 g/mol, XLogP of 4.92, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yloxybutyl)decan-1-amine is sourced from PubChem (CID 106007607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).