(2R)-6-methyl-N-(3-methylbutyl)heptan-2-amine

C13H29N — CID 38989018

IUPAC(2R)-6-methyl-N-(3-methylbutyl)heptan-2-amine
SMILESCC(C)CCC[C@@H](C)NCCC(C)C
InChIInChI=1S/C13H29N/c1-11(2)7-6-8-13(5)14-10-9-12(3)4/h11-14H,6-10H2,1-5H3/t13-/m1/s1
InChIKeyRRWTWWBIHKIYTH-CYBMUJFWSA-N
MW199.38 g/mol
LogP3.84
Rot. Bonds8

About (2R)-6-methyl-N-(3-methylbutyl)heptan-2-amine

(2R)-6-methyl-N-(3-methylbutyl)heptan-2-amine (PubChem CID 38989018) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is (2R)-6-methyl-N-(3-methylbutyl)heptan-2-amine.

Molecular Properties

Compound Name(2R)-6-methyl-N-(3-methylbutyl)heptan-2-amine
PubChem CID38989018
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name(2R)-6-methyl-N-(3-methylbutyl)heptan-2-amine
SMILESCC(C)CCC[C@@H](C)NCCC(C)C
InChIInChI=1S/C13H29N/c1-11(2)7-6-8-13(5)14-10-9-12(3)4/h11-14H,6-10H2,1-5H3/t13-/m1/s1
InChIKeyRRWTWWBIHKIYTH-CYBMUJFWSA-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

2-(6-methylheptan-2-ylamino)ethanol
CID 61469768
4-methyl-N-(3-methylbutyl)pentan-2-amine
CID 21355637
6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine
CID 170090972
2-methyl-6-(4-methylpentylamino)heptanoic acid
CID 83157356
N-butan-2-yl-3-methylbutan-1-amine;ethane
CID 142990947
N,N-dimethyl-3-(6-methylheptan-2-ylamino)propanamide
CID 60765757
6-methyl-N-(2-methylbutyl)heptan-2-amine
CID 43106983
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine
CID 54962012
5-methyl-N-(4-methylpentan-2-yl)hexan-1-amine
CID 115324441
N'-(5-methylhexan-2-yl)propane-1,3-diamine
CID 60889893
6-methyl-N-[2-(oxolan-2-yl)ethyl]heptan-2-amine
CID 65163408
N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-1-amine
CID 88856095

Frequently Asked Questions

What is the IUPAC name of (2R)-6-methyl-N-(3-methylbutyl)heptan-2-amine?
The IUPAC name of (2R)-6-methyl-N-(3-methylbutyl)heptan-2-amine (CID 38989018) is (2R)-6-methyl-N-(3-methylbutyl)heptan-2-amine.
What is the SMILES notation for (2R)-6-methyl-N-(3-methylbutyl)heptan-2-amine?
The canonical SMILES for (2R)-6-methyl-N-(3-methylbutyl)heptan-2-amine is CC(C)CCC[C@@H](C)NCCC(C)C.
What is the InChIKey of (2R)-6-methyl-N-(3-methylbutyl)heptan-2-amine?
The InChIKey is RRWTWWBIHKIYTH-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H29N/c1-11(2)7-6-8-13(5)14-10-9-12(3)4/h11-14H,6-10H2,1-5H3/t13-/m1/s1.
What are the key properties of (2R)-6-methyl-N-(3-methylbutyl)heptan-2-amine?
(2R)-6-methyl-N-(3-methylbutyl)heptan-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 (2R)-6-methyl-N-(3-methylbutyl)heptan-2-amine is sourced from PubChem (CID 38989018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).