(2R,4S)-4-methyl-2-pyridin-2-ylheptan-1-amine

C13H22N2 — CID 95241708

IUPAC(2R,4S)-4-methyl-2-pyridin-2-ylheptan-1-amine
SMILESCCC[C@H](C)C[C@H](CN)c1ccccn1
InChIInChI=1S/C13H22N2/c1-3-6-11(2)9-12(10-14)13-7-4-5-8-15-13/h4-5,7-8,11-12H,3,6,9-10,14H2,1-2H3/t11-,12+/m0/s1
InChIKeyLXHNDOBPADIHQV-NWDGAFQWSA-N
MW206.33 g/mol
LogP2.95
Rot. Bonds6

About (2R,4S)-4-methyl-2-pyridin-2-ylheptan-1-amine

(2R,4S)-4-methyl-2-pyridin-2-ylheptan-1-amine (PubChem CID 95241708) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (2R,4S)-4-methyl-2-pyridin-2-ylheptan-1-amine.

Molecular Properties

Compound Name(2R,4S)-4-methyl-2-pyridin-2-ylheptan-1-amine
PubChem CID95241708
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(2R,4S)-4-methyl-2-pyridin-2-ylheptan-1-amine
SMILESCCC[C@H](C)C[C@H](CN)c1ccccn1
InChIInChI=1S/C13H22N2/c1-3-6-11(2)9-12(10-14)13-7-4-5-8-15-13/h4-5,7-8,11-12H,3,6,9-10,14H2,1-2H3/t11-,12+/m0/s1
InChIKeyLXHNDOBPADIHQV-NWDGAFQWSA-N
XLogP2.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-pyridin-2-ylheptan-1-amine
CID 54593230
ethane;2-pentan-3-ylpyridine
CID 142883968
2-pyridin-2-ylpropan-1-amine
CID 21481533
2-decan-4-ylpyridine
CID 67882797
1-fluorobutyl 4-amino-3-pyridin-2-ylbutanoate
CID 146368456
2-tridecan-6-ylpyridine
CID 139295924
2-pentadecan-3-ylpyridine;hydrochloride
CID 175583895
2-(1-fluorobutyl)pyridine
CID 66584665
(2R)-3-methyl-2-pyridin-2-ylbutan-1-amine
CID 96736561
3-(4-propoxyphenyl)-2-pyridin-2-ylpropan-1-amine
CID 83975865
4-pyridin-2-ylheptanal
CID 88746457
4-chloro-3-pyridin-2-ylbutan-1-amine
CID 152778918

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-methyl-2-pyridin-2-ylheptan-1-amine?
The IUPAC name of (2R,4S)-4-methyl-2-pyridin-2-ylheptan-1-amine (CID 95241708) is (2R,4S)-4-methyl-2-pyridin-2-ylheptan-1-amine.
What is the SMILES notation for (2R,4S)-4-methyl-2-pyridin-2-ylheptan-1-amine?
The canonical SMILES for (2R,4S)-4-methyl-2-pyridin-2-ylheptan-1-amine is CCC[C@H](C)C[C@H](CN)c1ccccn1.
What is the InChIKey of (2R,4S)-4-methyl-2-pyridin-2-ylheptan-1-amine?
The InChIKey is LXHNDOBPADIHQV-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-6-11(2)9-12(10-14)13-7-4-5-8-15-13/h4-5,7-8,11-12H,3,6,9-10,14H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of (2R,4S)-4-methyl-2-pyridin-2-ylheptan-1-amine?
(2R,4S)-4-methyl-2-pyridin-2-ylheptan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-methyl-2-pyridin-2-ylheptan-1-amine is sourced from PubChem (CID 95241708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).