[(1R,3R,6S)-3-bicyclo[4.1.0]heptanyl]methanamine

C8H15N — CID 124658554

IUPAC[(1R,3R,6S)-3-bicyclo[4.1.0]heptanyl]methanamine
SMILESNC[C@@H]1CC[C@H]2C[C@@H]2C1
InChIInChI=1S/C8H15N/c9-5-6-1-2-7-4-8(7)3-6/h6-8H,1-5,9H2/t6-,7+,8+/m1/s1
InChIKeyBQSDLOIDYJNUGB-CSMHCCOUSA-N
MW125.22 g/mol
LogP1.38
Rot. Bonds1

About [(1R,3R,6S)-3-bicyclo[4.1.0]heptanyl]methanamine

[(1R,3R,6S)-3-bicyclo[4.1.0]heptanyl]methanamine (PubChem CID 124658554) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is [(1R,3R,6S)-3-bicyclo[4.1.0]heptanyl]methanamine.

Molecular Properties

Compound Name[(1R,3R,6S)-3-bicyclo[4.1.0]heptanyl]methanamine
PubChem CID124658554
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name[(1R,3R,6S)-3-bicyclo[4.1.0]heptanyl]methanamine
SMILESNC[C@@H]1CC[C@H]2C[C@@H]2C1
InChIInChI=1S/C8H15N/c9-5-6-1-2-7-4-8(7)3-6/h6-8H,1-5,9H2/t6-,7+,8+/m1/s1
InChIKeyBQSDLOIDYJNUGB-CSMHCCOUSA-N
XLogP1.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bicyclo[4.2.0]octanylmethanamine
CID 131991304
(3-cyclohexylcyclopentyl)methanamine
CID 83636273
azane;3-bicyclo[3.1.0]hexanylmethanamine
CID 70417036
(1S,3S)-3-ethylbicyclo[4.1.0]heptane
CID 143706776
[4-(aminomethyl)cyclohexyl]methanamine
CID 158172497
[(1S,2R,3R,4R)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 11309632
[1-(3-bicyclo[4.1.0]heptanylmethyl)cyclobutyl]methanamine
CID 164656358
(1S,3R,6R)-bicyclo[4.1.0]heptan-3-amine
CID 125040803
[(1S,3S)-3-(aminomethyl)cyclohexyl]methanamine
CID 6951512
[2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methanol
CID 89195947
cis-(1S,2R)-4-(aminomethyl)cyclohexane-1,2-diamine
CID 58874381
trans-(1S,3S)-3-(aminomethyl)cyclopentan-1-ol
CID 42614402

Frequently Asked Questions

What is the IUPAC name of [(1R,3R,6S)-3-bicyclo[4.1.0]heptanyl]methanamine?
The IUPAC name of [(1R,3R,6S)-3-bicyclo[4.1.0]heptanyl]methanamine (CID 124658554) is [(1R,3R,6S)-3-bicyclo[4.1.0]heptanyl]methanamine.
What is the SMILES notation for [(1R,3R,6S)-3-bicyclo[4.1.0]heptanyl]methanamine?
The canonical SMILES for [(1R,3R,6S)-3-bicyclo[4.1.0]heptanyl]methanamine is NC[C@@H]1CC[C@H]2C[C@@H]2C1.
What is the InChIKey of [(1R,3R,6S)-3-bicyclo[4.1.0]heptanyl]methanamine?
The InChIKey is BQSDLOIDYJNUGB-CSMHCCOUSA-N. The full InChI is InChI=1S/C8H15N/c9-5-6-1-2-7-4-8(7)3-6/h6-8H,1-5,9H2/t6-,7+,8+/m1/s1.
What are the key properties of [(1R,3R,6S)-3-bicyclo[4.1.0]heptanyl]methanamine?
[(1R,3R,6S)-3-bicyclo[4.1.0]heptanyl]methanamine has a molecular weight of 125.22 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R,6S)-3-bicyclo[4.1.0]heptanyl]methanamine is sourced from PubChem (CID 124658554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).