3,6-dimethyl-N-propyloctan-4-amine

C13H29N — CID 63716674

IUPAC3,6-dimethyl-N-propyloctan-4-amine
SMILESCCCNC(CC(C)CC)C(C)CC
InChIInChI=1S/C13H29N/c1-6-9-14-13(12(5)8-3)10-11(4)7-2/h11-14H,6-10H2,1-5H3
InChIKeyCAUNTUJEZHLBEB-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.84
Rot. Bonds8

About 3,6-dimethyl-N-propyloctan-4-amine

3,6-dimethyl-N-propyloctan-4-amine (PubChem CID 63716674) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 3,6-dimethyl-N-propyloctan-4-amine.

Molecular Properties

Compound Name3,6-dimethyl-N-propyloctan-4-amine
PubChem CID63716674
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name3,6-dimethyl-N-propyloctan-4-amine
SMILESCCCNC(CC(C)CC)C(C)CC
InChIInChI=1S/C13H29N/c1-6-9-14-13(12(5)8-3)10-11(4)7-2/h11-14H,6-10H2,1-5H3
InChIKeyCAUNTUJEZHLBEB-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
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

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Related Compounds

N-ethyl-3,6-dimethyloctan-4-amine
CID 63717606
5-methyl-2-methylsulfonyl-N-propylheptan-3-amine
CID 115846138
3-methyl-1-methylsulfanyl-N-propylpentan-2-amine
CID 79445388
4,6-dimethyl-N-propyloctan-2-amine
CID 64720545
3-methyl-N-propylhexadecan-4-amine
CID 63717053
4,5-dimethyl-N-propylheptan-2-amine
CID 79443938
3-methyl-1-N,1-N-bis(3-methylbutyl)-2-N-propylpentane-1,2-diamine
CID 107869654
5-methyl-N-propylhept-1-en-3-amine
CID 105000936
N-ethyl-2,5-dimethylheptan-4-amine
CID 63717421
4-methyl-6-propan-2-yloxy-N-propylhexan-3-amine
CID 63560225
3-methyl-N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-amine
CID 115846358
N-ethyl-1,1-dimethoxy-4-methylhexan-2-amine
CID 79492342

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-propyloctan-4-amine?
The IUPAC name of 3,6-dimethyl-N-propyloctan-4-amine (CID 63716674) is 3,6-dimethyl-N-propyloctan-4-amine.
What is the SMILES notation for 3,6-dimethyl-N-propyloctan-4-amine?
The canonical SMILES for 3,6-dimethyl-N-propyloctan-4-amine is CCCNC(CC(C)CC)C(C)CC.
What is the InChIKey of 3,6-dimethyl-N-propyloctan-4-amine?
The InChIKey is CAUNTUJEZHLBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-6-9-14-13(12(5)8-3)10-11(4)7-2/h11-14H,6-10H2,1-5H3.
What are the key properties of 3,6-dimethyl-N-propyloctan-4-amine?
3,6-dimethyl-N-propyloctan-4-amine has a molecular weight of 199.38 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-propyloctan-4-amine is sourced from PubChem (CID 63716674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).