3-methyl-N,2-dipropylhexan-1-amine

C13H29N — CID 107897121

IUPAC3-methyl-N,2-dipropylhexan-1-amine
SMILESCCCNCC(CCC)C(C)CCC
InChIInChI=1S/C13H29N/c1-5-8-12(4)13(9-6-2)11-14-10-7-3/h12-14H,5-11H2,1-4H3
InChIKeyRODYSEBHBRQKAW-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.84
Rot. Bonds9

About 3-methyl-N,2-dipropylhexan-1-amine

3-methyl-N,2-dipropylhexan-1-amine (PubChem CID 107897121) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 3-methyl-N,2-dipropylhexan-1-amine.

Molecular Properties

Compound Name3-methyl-N,2-dipropylhexan-1-amine
PubChem CID107897121
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name3-methyl-N,2-dipropylhexan-1-amine
SMILESCCCNCC(CCC)C(C)CCC
InChIInChI=1S/C13H29N/c1-5-8-12(4)13(9-6-2)11-14-10-7-3/h12-14H,5-11H2,1-4H3
InChIKeyRODYSEBHBRQKAW-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.84
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

(2S)-2-butan-2-yl-N-propylheptan-1-amine
CID 164875858
2-[(4-bromophenyl)methyl]-3-methyl-N-propylhexan-1-amine
CID 107897173
N-tert-butyl-3-methyl-2-propylhexan-1-amine
CID 107897126
N,2-dipropylpentan-1-amine
CID 62530512
2-propan-2-yl-N-propylheptan-1-amine
CID 63521498
N-ethyl-3-methyl-2-(2-methylpropyl)hexan-1-amine
CID 107897106
2-methyl-N-propylpropan-1-amine
CID 520943
4-ethyl-2,3-dimethyl-N-propylhexan-1-amine
CID 81015927
2,3-dimethyl-N-propylheptan-1-amine
CID 81015380
(2S)-2-iodo-N-propylpropan-1-amine
CID 139491704
5-methyl-N,2-dipropylhexan-1-amine
CID 63497105
2,5-dimethyl-4-propyloctane
CID 57491236

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N,2-dipropylhexan-1-amine?
The IUPAC name of 3-methyl-N,2-dipropylhexan-1-amine (CID 107897121) is 3-methyl-N,2-dipropylhexan-1-amine.
What is the SMILES notation for 3-methyl-N,2-dipropylhexan-1-amine?
The canonical SMILES for 3-methyl-N,2-dipropylhexan-1-amine is CCCNCC(CCC)C(C)CCC.
What is the InChIKey of 3-methyl-N,2-dipropylhexan-1-amine?
The InChIKey is RODYSEBHBRQKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-5-8-12(4)13(9-6-2)11-14-10-7-3/h12-14H,5-11H2,1-4H3.
What are the key properties of 3-methyl-N,2-dipropylhexan-1-amine?
3-methyl-N,2-dipropylhexan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N,2-dipropylhexan-1-amine is sourced from PubChem (CID 107897121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).