3,7-dimethyl-N-propyloctan-2-amine

C13H29N — CID 83158474

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

About 3,7-dimethyl-N-propyloctan-2-amine

3,7-dimethyl-N-propyloctan-2-amine (PubChem CID 83158474) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 3,7-dimethyl-N-propyloctan-2-amine.

Molecular Properties

Compound Name3,7-dimethyl-N-propyloctan-2-amine
PubChem CID83158474
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name3,7-dimethyl-N-propyloctan-2-amine
SMILESCCCNC(C)C(C)CCCC(C)C
InChIInChI=1S/C13H29N/c1-6-10-14-13(5)12(4)9-7-8-11(2)3/h11-14H,6-10H2,1-5H3
InChIKeyNKQFUSOFEPOCKV-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

(2S,3R)-3-methyl-N-propylhexan-2-amine
CID 170123604
9-methyl-N-propyldecan-5-amine
CID 83162126
N-butyl-3-methylhexan-2-amine
CID 123937982
(2R,3R)-3-methyl-N-(3-methylbutyl)pentan-2-amine
CID 28614527
N-butyl-3-methylpentan-2-amine
CID 43200990
2,9,10-trimethyltridecane
CID 123263779
(2S,3R)-N-ethyl-3-methylhexan-2-amine
CID 51891368
N,4,8-trimethylnonan-3-amine
CID 83158813
N-(1,1-difluoropropan-2-yl)-4-methylpentan-1-amine
CID 102869254
5-methyl-N-propyl-1-(3,4,5-trifluorophenyl)hexan-1-amine
CID 83161134
3-ethyl-N-propyldodecan-2-amine
CID 63400125
ethane;13-methyl-N-propyltetradecan-1-amine
CID 176934957

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-N-propyloctan-2-amine?
The IUPAC name of 3,7-dimethyl-N-propyloctan-2-amine (CID 83158474) is 3,7-dimethyl-N-propyloctan-2-amine.
What is the SMILES notation for 3,7-dimethyl-N-propyloctan-2-amine?
The canonical SMILES for 3,7-dimethyl-N-propyloctan-2-amine is CCCNC(C)C(C)CCCC(C)C.
What is the InChIKey of 3,7-dimethyl-N-propyloctan-2-amine?
The InChIKey is NKQFUSOFEPOCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-6-10-14-13(5)12(4)9-7-8-11(2)3/h11-14H,6-10H2,1-5H3.
What are the key properties of 3,7-dimethyl-N-propyloctan-2-amine?
3,7-dimethyl-N-propyloctan-2-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 3,7-dimethyl-N-propyloctan-2-amine is sourced from PubChem (CID 83158474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).