3,5-dimethyl-N-propan-2-yloctan-1-amine

C13H29N — CID 81018582

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

About 3,5-dimethyl-N-propan-2-yloctan-1-amine

3,5-dimethyl-N-propan-2-yloctan-1-amine (PubChem CID 81018582) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 3,5-dimethyl-N-propan-2-yloctan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-propan-2-yloctan-1-amine
PubChem CID81018582
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name3,5-dimethyl-N-propan-2-yloctan-1-amine
SMILESCCCC(C)CC(C)CCNC(C)C
InChIInChI=1S/C13H29N/c1-6-7-12(4)10-13(5)8-9-14-11(2)3/h11-14H,6-10H2,1-5H3
InChIKeyNKCHGSQXSXRMCR-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

3,5-dimethyl-N-propan-2-ylheptan-1-amine
CID 81018940
3-methyl-N-propan-2-ylnonan-1-amine
CID 81019995
(2S)-2-methyl-N-propan-2-ylpentan-1-amine
CID 28610224
2,4,6,8,10,12-hexamethylpentadecane
CID 15607000
2,4,6,8,10,12,14-heptamethylheptadecane
CID 91613417
3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188
3,5,7,9-tetramethyldodecane
CID 91047062
2,4,6,8,10-pentamethyltridecane
CID 20715673
6-methyl-N-propan-2-ylnon-3-en-1-amine
CID 79592090
(2S,4R)-1-iodo-2,4-dimethylheptane
CID 10848517
2,4,6-trimethylnonane;2,4,6-trimethylnonane
CID 159285592
5-(4-ethylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304387

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-propan-2-yloctan-1-amine?
The IUPAC name of 3,5-dimethyl-N-propan-2-yloctan-1-amine (CID 81018582) is 3,5-dimethyl-N-propan-2-yloctan-1-amine.
What is the SMILES notation for 3,5-dimethyl-N-propan-2-yloctan-1-amine?
The canonical SMILES for 3,5-dimethyl-N-propan-2-yloctan-1-amine is CCCC(C)CC(C)CCNC(C)C.
What is the InChIKey of 3,5-dimethyl-N-propan-2-yloctan-1-amine?
The InChIKey is NKCHGSQXSXRMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-6-7-12(4)10-13(5)8-9-14-11(2)3/h11-14H,6-10H2,1-5H3.
What are the key properties of 3,5-dimethyl-N-propan-2-yloctan-1-amine?
3,5-dimethyl-N-propan-2-yloctan-1-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 3,5-dimethyl-N-propan-2-yloctan-1-amine is sourced from PubChem (CID 81018582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).