(2S)-2-N-(7-bicyclo[4.1.0]heptanylmethyl)propane-1,2-diamine

C11H22N2 — CID 104867892

IUPAC(2S)-2-N-(7-bicyclo[4.1.0]heptanylmethyl)propane-1,2-diamine
SMILESC[C@@H](CN)NCC1C2CCCCC21
InChIInChI=1S/C11H22N2/c1-8(6-12)13-7-11-9-4-2-3-5-10(9)11/h8-11,13H,2-7,12H2,1H3/t8-,9?,10?,11?/m0/s1
InChIKeyJEBHKSVIZOMDKQ-FBAUCUACSA-N
MW182.31 g/mol
LogP1.36
Rot. Bonds4

About (2S)-2-N-(7-bicyclo[4.1.0]heptanylmethyl)propane-1,2-diamine

(2S)-2-N-(7-bicyclo[4.1.0]heptanylmethyl)propane-1,2-diamine (PubChem CID 104867892) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (2S)-2-N-(7-bicyclo[4.1.0]heptanylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N-(7-bicyclo[4.1.0]heptanylmethyl)propane-1,2-diamine
PubChem CID104867892
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(2S)-2-N-(7-bicyclo[4.1.0]heptanylmethyl)propane-1,2-diamine
SMILESC[C@@H](CN)NCC1C2CCCCC21
InChIInChI=1S/C11H22N2/c1-8(6-12)13-7-11-9-4-2-3-5-10(9)11/h8-11,13H,2-7,12H2,1H3/t8-,9?,10?,11?/m0/s1
InChIKeyJEBHKSVIZOMDKQ-FBAUCUACSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-N-(thian-2-ylmethyl)propane-1,2-diamine
CID 104867949
(2S)-2-N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)propane-1,2-diamine
CID 104867674
2-N-[(4-ethylcyclohexyl)methyl]propane-1,2-diamine
CID 103389347
(2R)-2-N-[(3-methyloxolan-2-yl)methyl]propane-1,2-diamine
CID 104868012
2-N-(thian-4-ylmethyl)propane-1,2-diamine
CID 103391033
(2S)-2-N-[(4,4-difluorocyclohexyl)methyl]propane-1,2-diamine
CID 104867709
N-[(2R)-1-aminopropan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 104872968
1-[(7R)-8-bicyclo[5.1.0]octanyl]-N-methylmethanamine
CID 137483176
(2S)-2-N-[(2,2-dichlorocyclopropyl)methyl]propane-1,2-diamine
CID 104867595
2-N-[2-[cyclopentyl(methyl)amino]ethyl]propane-1,2-diamine
CID 103389932
(2S)-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine
CID 104867499
2-N-[[4-[(2-aminopropylamino)methyl]cyclohexyl]methyl]propane-1,2-diamine
CID 118876014

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-(7-bicyclo[4.1.0]heptanylmethyl)propane-1,2-diamine?
The IUPAC name of (2S)-2-N-(7-bicyclo[4.1.0]heptanylmethyl)propane-1,2-diamine (CID 104867892) is (2S)-2-N-(7-bicyclo[4.1.0]heptanylmethyl)propane-1,2-diamine.
What is the SMILES notation for (2S)-2-N-(7-bicyclo[4.1.0]heptanylmethyl)propane-1,2-diamine?
The canonical SMILES for (2S)-2-N-(7-bicyclo[4.1.0]heptanylmethyl)propane-1,2-diamine is C[C@@H](CN)NCC1C2CCCCC21.
What is the InChIKey of (2S)-2-N-(7-bicyclo[4.1.0]heptanylmethyl)propane-1,2-diamine?
The InChIKey is JEBHKSVIZOMDKQ-FBAUCUACSA-N. The full InChI is InChI=1S/C11H22N2/c1-8(6-12)13-7-11-9-4-2-3-5-10(9)11/h8-11,13H,2-7,12H2,1H3/t8-,9?,10?,11?/m0/s1.
What are the key properties of (2S)-2-N-(7-bicyclo[4.1.0]heptanylmethyl)propane-1,2-diamine?
(2S)-2-N-(7-bicyclo[4.1.0]heptanylmethyl)propane-1,2-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-(7-bicyclo[4.1.0]heptanylmethyl)propane-1,2-diamine is sourced from PubChem (CID 104867892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).