[(2R,3R)-1,2-dicyclopropylazepan-3-yl]methanamine

C13H24N2 — CID 96615677

IUPAC[(2R,3R)-1,2-dicyclopropylazepan-3-yl]methanamine
SMILESNC[C@H]1CCCCN(C2CC2)[C@@H]1C1CC1
InChIInChI=1S/C13H24N2/c14-9-11-3-1-2-8-15(12-6-7-12)13(11)10-4-5-10/h10-13H,1-9,14H2/t11-,13-/m1/s1
InChIKeyPKOKQLRUHDCWJZ-DGCLKSJQSA-N
MW208.35 g/mol
LogP1.99
Rot. Bonds3

About [(2R,3R)-1,2-dicyclopropylazepan-3-yl]methanamine

[(2R,3R)-1,2-dicyclopropylazepan-3-yl]methanamine (PubChem CID 96615677) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is [(2R,3R)-1,2-dicyclopropylazepan-3-yl]methanamine.

Molecular Properties

Compound Name[(2R,3R)-1,2-dicyclopropylazepan-3-yl]methanamine
PubChem CID96615677
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name[(2R,3R)-1,2-dicyclopropylazepan-3-yl]methanamine
SMILESNC[C@H]1CCCCN(C2CC2)[C@@H]1C1CC1
InChIInChI=1S/C13H24N2/c14-9-11-3-1-2-8-15(12-6-7-12)13(11)10-4-5-10/h10-13H,1-9,14H2/t11-,13-/m1/s1
InChIKeyPKOKQLRUHDCWJZ-DGCLKSJQSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,3R)-2-cyclopropyl-1-propan-2-ylazepan-3-yl]methanamine
CID 96614134
[(2R,3R)-1-cyclohexyl-2-methylazepan-3-yl]methanamine
CID 96604453
(1-cyclopropylpiperidin-2-yl)methanamine
CID 83694601
(1-cyclopropyl-2-propan-2-ylpiperidin-3-yl)methanamine
CID 83847751
(1-cycloheptylazepan-2-yl)methanamine
CID 116640538
[(2R,3R)-2-cyclopentyl-1-propylpiperidin-3-yl]methanamine
CID 96604454
2-cyclopentyl-2-azabicyclo[2.2.2]octan-5-amine
CID 117050347
[1-(3-cyclopropylcyclohexyl)piperidin-2-yl]methanamine
CID 64624658
2-(1-cyclopropyl-2-methylpiperidin-3-yl)ethanamine
CID 83846817
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride
CID 50944349
[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride
CID 119056746
(2-prop-2-ynylcyclohexyl)methanamine
CID 81010145

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-1,2-dicyclopropylazepan-3-yl]methanamine?
The IUPAC name of [(2R,3R)-1,2-dicyclopropylazepan-3-yl]methanamine (CID 96615677) is [(2R,3R)-1,2-dicyclopropylazepan-3-yl]methanamine.
What is the SMILES notation for [(2R,3R)-1,2-dicyclopropylazepan-3-yl]methanamine?
The canonical SMILES for [(2R,3R)-1,2-dicyclopropylazepan-3-yl]methanamine is NC[C@H]1CCCCN(C2CC2)[C@@H]1C1CC1.
What is the InChIKey of [(2R,3R)-1,2-dicyclopropylazepan-3-yl]methanamine?
The InChIKey is PKOKQLRUHDCWJZ-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H24N2/c14-9-11-3-1-2-8-15(12-6-7-12)13(11)10-4-5-10/h10-13H,1-9,14H2/t11-,13-/m1/s1.
What are the key properties of [(2R,3R)-1,2-dicyclopropylazepan-3-yl]methanamine?
[(2R,3R)-1,2-dicyclopropylazepan-3-yl]methanamine has a molecular weight of 208.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-1,2-dicyclopropylazepan-3-yl]methanamine is sourced from PubChem (CID 96615677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).