2,7-dimethylundecan-4-amine

C13H29N — CID 20767200

IUPAC2,7-dimethylundecan-4-amine
SMILESCCCCC(C)CCC(N)CC(C)C
InChIInChI=1S/C13H29N/c1-5-6-7-12(4)8-9-13(14)10-11(2)3/h11-13H,5-10,14H2,1-4H3
InChIKeyQYYKRKDBFKHBTQ-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.97
Rot. Bonds8

About 2,7-dimethylundecan-4-amine

2,7-dimethylundecan-4-amine (PubChem CID 20767200) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 2,7-dimethylundecan-4-amine.

Molecular Properties

Compound Name2,7-dimethylundecan-4-amine
PubChem CID20767200
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name2,7-dimethylundecan-4-amine
SMILESCCCCC(C)CCC(N)CC(C)C
InChIInChI=1S/C13H29N/c1-5-6-7-12(4)8-9-13(14)10-11(2)3/h11-13H,5-10,14H2,1-4H3
InChIKeyQYYKRKDBFKHBTQ-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,10-dimethyltetradecan-7-amine
CID 167136047
(3S,6R)-6-methyldecan-3-amine
CID 88893264
(4R)-2-methyldecan-4-amine
CID 14572815
(4R)-2-methylnonan-4-amine;hydrochloride
CID 14572809
5,7,10-trimethyltetradecane
CID 91033593
2,4,6,10-tetramethyltetradecane
CID 123234776
2,4-dimethyloctane;ethene
CID 156719555
2,15,18-trimethylnonadecane-4,13-diamine
CID 56622666
1-methoxy-2-methyloctan-4-amine
CID 105125248
5,8,18,24-tetramethylhentriacontane
CID 6430103
(3R,6S)-3,6-dimethyldecane
CID 170848353
2,4,5,7-tetramethylundecane
CID 91373064

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylundecan-4-amine?
The IUPAC name of 2,7-dimethylundecan-4-amine (CID 20767200) is 2,7-dimethylundecan-4-amine.
What is the SMILES notation for 2,7-dimethylundecan-4-amine?
The canonical SMILES for 2,7-dimethylundecan-4-amine is CCCCC(C)CCC(N)CC(C)C.
What is the InChIKey of 2,7-dimethylundecan-4-amine?
The InChIKey is QYYKRKDBFKHBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-5-6-7-12(4)8-9-13(14)10-11(2)3/h11-13H,5-10,14H2,1-4H3.
What are the key properties of 2,7-dimethylundecan-4-amine?
2,7-dimethylundecan-4-amine has a molecular weight of 199.38 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylundecan-4-amine is sourced from PubChem (CID 20767200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).