[(2R,3R)-2-cyclopropyl-1-propan-2-ylazepan-3-yl]methanamine

C13H26N2 — CID 96614134

IUPAC[(2R,3R)-2-cyclopropyl-1-propan-2-ylazepan-3-yl]methanamine
SMILESCC(C)N1CCCC[C@H](CN)[C@H]1C1CC1
InChIInChI=1S/C13H26N2/c1-10(2)15-8-4-3-5-12(9-14)13(15)11-6-7-11/h10-13H,3-9,14H2,1-2H3/t12-,13-/m1/s1
InChIKeyDLGYZSKJNVRAEE-CHWSQXEVSA-N
MW210.36 g/mol
LogP2.23
Rot. Bonds3

About [(2R,3R)-2-cyclopropyl-1-propan-2-ylazepan-3-yl]methanamine

[(2R,3R)-2-cyclopropyl-1-propan-2-ylazepan-3-yl]methanamine (PubChem CID 96614134) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is [(2R,3R)-2-cyclopropyl-1-propan-2-ylazepan-3-yl]methanamine.

Molecular Properties

Compound Name[(2R,3R)-2-cyclopropyl-1-propan-2-ylazepan-3-yl]methanamine
PubChem CID96614134
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name[(2R,3R)-2-cyclopropyl-1-propan-2-ylazepan-3-yl]methanamine
SMILESCC(C)N1CCCC[C@H](CN)[C@H]1C1CC1
InChIInChI=1S/C13H26N2/c1-10(2)15-8-4-3-5-12(9-14)13(15)11-6-7-11/h10-13H,3-9,14H2,1-2H3/t12-,13-/m1/s1
InChIKeyDLGYZSKJNVRAEE-CHWSQXEVSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,3R)-1,2-dicyclopropylazepan-3-yl]methanamine
CID 96615677
(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717
[2-(2-cyclopropylphenyl)-1-propan-2-ylazepan-3-yl]methanamine
CID 79972102
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride
CID 156593878
2-[(2R,3R)-3-(aminomethyl)-1-propan-2-ylpiperidin-2-yl]-N,N-dimethylethanamine
CID 96602279
[(2R,3R)-2-cyclopentyl-1-propylpiperidin-3-yl]methanamine
CID 96604454
[(2R,3R)-2-ethyl-1-(2-methylpropyl)azepan-3-yl]methanamine
CID 96612828
1,2-di(propan-2-yl)azocane
CID 134605032
[(2R,3R)-1-methyl-2-(2-methylpropyl)azepan-3-yl]methanamine
CID 96620784
(2R)-2-tert-butyl-1-propan-2-ylpiperidine
CID 171587843
1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-ol
CID 66744341
2-(1-bromopropan-2-yl)-1-propan-2-ylpiperidine
CID 164645144

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-cyclopropyl-1-propan-2-ylazepan-3-yl]methanamine?
The IUPAC name of [(2R,3R)-2-cyclopropyl-1-propan-2-ylazepan-3-yl]methanamine (CID 96614134) is [(2R,3R)-2-cyclopropyl-1-propan-2-ylazepan-3-yl]methanamine.
What is the SMILES notation for [(2R,3R)-2-cyclopropyl-1-propan-2-ylazepan-3-yl]methanamine?
The canonical SMILES for [(2R,3R)-2-cyclopropyl-1-propan-2-ylazepan-3-yl]methanamine is CC(C)N1CCCC[C@H](CN)[C@H]1C1CC1.
What is the InChIKey of [(2R,3R)-2-cyclopropyl-1-propan-2-ylazepan-3-yl]methanamine?
The InChIKey is DLGYZSKJNVRAEE-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H26N2/c1-10(2)15-8-4-3-5-12(9-14)13(15)11-6-7-11/h10-13H,3-9,14H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of [(2R,3R)-2-cyclopropyl-1-propan-2-ylazepan-3-yl]methanamine?
[(2R,3R)-2-cyclopropyl-1-propan-2-ylazepan-3-yl]methanamine has a molecular weight of 210.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-cyclopropyl-1-propan-2-ylazepan-3-yl]methanamine is sourced from PubChem (CID 96614134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).