2-butyl-2,4-diethyl-N-propan-2-ylhexan-1-amine

C17H37N — CID 82930458

IUPAC2-butyl-2,4-diethyl-N-propan-2-ylhexan-1-amine
SMILESCCCCC(CC)(CNC(C)C)CC(CC)CC
InChIInChI=1S/C17H37N/c1-7-11-12-17(10-4,14-18-15(5)6)13-16(8-2)9-3/h15-16,18H,7-14H2,1-6H3
InChIKeyNQQTYCVQXAAMRQ-UHFFFAOYSA-N
MW255.49 g/mol
LogP5.40
Rot. Bonds11

About 2-butyl-2,4-diethyl-N-propan-2-ylhexan-1-amine

2-butyl-2,4-diethyl-N-propan-2-ylhexan-1-amine (PubChem CID 82930458) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is 2-butyl-2,4-diethyl-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name2-butyl-2,4-diethyl-N-propan-2-ylhexan-1-amine
PubChem CID82930458
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC Name2-butyl-2,4-diethyl-N-propan-2-ylhexan-1-amine
SMILESCCCCC(CC)(CNC(C)C)CC(CC)CC
InChIInChI=1S/C17H37N/c1-7-11-12-17(10-4,14-18-15(5)6)13-16(8-2)9-3/h15-16,18H,7-14H2,1-6H3
InChIKeyNQQTYCVQXAAMRQ-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-diethyl-N-propan-2-ylnonan-1-amine
CID 63508452
2,2-diethyl-N-propan-2-yldodecan-1-amine
CID 63509498
2-butyl-2,4-diethyl-N-(2-methylpropyl)hexan-1-amine
CID 82930649
2-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylhexan-1-amine
CID 112591502
N-tert-butyl-2-butyl-2,4-diethyloctan-1-amine
CID 63509481
6,6-bis(2-ethylbutyl)undecane
CID 174469307
2,2-diethyl-6-methyl-N-propan-2-ylheptan-1-amine
CID 83169784
2-ethyl-N-methyl-2-(2-methylpropyl)hexan-1-amine
CID 62725827
2-[(2,3-difluorophenyl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine
CID 63507222
2,2-diethyl-4-methyl-N-propan-2-ylheptan-1-amine
CID 63509497
2-ethyl-N,2-bis(2-methylpropyl)hexan-1-amine
CID 55220449
3,3-diethylheptane;3,3-diethylhexane;3,3-diethylpentane;3-ethylpentane;methane
CID 158847825

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2,4-diethyl-N-propan-2-ylhexan-1-amine?
The IUPAC name of 2-butyl-2,4-diethyl-N-propan-2-ylhexan-1-amine (CID 82930458) is 2-butyl-2,4-diethyl-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 2-butyl-2,4-diethyl-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 2-butyl-2,4-diethyl-N-propan-2-ylhexan-1-amine is CCCCC(CC)(CNC(C)C)CC(CC)CC.
What is the InChIKey of 2-butyl-2,4-diethyl-N-propan-2-ylhexan-1-amine?
The InChIKey is NQQTYCVQXAAMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N/c1-7-11-12-17(10-4,14-18-15(5)6)13-16(8-2)9-3/h15-16,18H,7-14H2,1-6H3.
What are the key properties of 2-butyl-2,4-diethyl-N-propan-2-ylhexan-1-amine?
2-butyl-2,4-diethyl-N-propan-2-ylhexan-1-amine has a molecular weight of 255.49 g/mol, XLogP of 5.40, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2,4-diethyl-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 82930458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).