cis-(1S,2R)-4-(aminomethyl)cyclohexane-1,2-diamine

C7H17N3 — CID 58874381

IUPACcis-(1S,2R)-4-(aminomethyl)cyclohexane-1,2-diamine
SMILESNCC1CC[C@H](N)[C@H](N)C1
InChIInChI=1S/C7H17N3/c8-4-5-1-2-6(9)7(10)3-5/h5-7H,1-4,8-10H2/t5?,6-,7+/m0/s1
InChIKeyUITJHEMFJMOFAZ-BOJSHJERSA-N
MW143.23 g/mol
LogP-0.60
Rot. Bonds1

About cis-(1S,2R)-4-(aminomethyl)cyclohexane-1,2-diamine

cis-(1S,2R)-4-(aminomethyl)cyclohexane-1,2-diamine (PubChem CID 58874381) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is cis-(1S,2R)-4-(aminomethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Namecis-(1S,2R)-4-(aminomethyl)cyclohexane-1,2-diamine
PubChem CID58874381
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Namecis-(1S,2R)-4-(aminomethyl)cyclohexane-1,2-diamine
SMILESNCC1CC[C@H](N)[C@H](N)C1
InChIInChI=1S/C7H17N3/c8-4-5-1-2-6(9)7(10)3-5/h5-7H,1-4,8-10H2/t5?,6-,7+/m0/s1
InChIKeyUITJHEMFJMOFAZ-BOJSHJERSA-N
XLogP-0.60
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-4-(aminomethyl)cyclohexane-1,2-diamine?
The IUPAC name of cis-(1S,2R)-4-(aminomethyl)cyclohexane-1,2-diamine (CID 58874381) is cis-(1S,2R)-4-(aminomethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for cis-(1S,2R)-4-(aminomethyl)cyclohexane-1,2-diamine?
The canonical SMILES for cis-(1S,2R)-4-(aminomethyl)cyclohexane-1,2-diamine is NCC1CC[C@H](N)[C@H](N)C1.
What is the InChIKey of cis-(1S,2R)-4-(aminomethyl)cyclohexane-1,2-diamine?
The InChIKey is UITJHEMFJMOFAZ-BOJSHJERSA-N. The full InChI is InChI=1S/C7H17N3/c8-4-5-1-2-6(9)7(10)3-5/h5-7H,1-4,8-10H2/t5?,6-,7+/m0/s1.
What are the key properties of cis-(1S,2R)-4-(aminomethyl)cyclohexane-1,2-diamine?
cis-(1S,2R)-4-(aminomethyl)cyclohexane-1,2-diamine has a molecular weight of 143.23 g/mol, XLogP of -0.60, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-4-(aminomethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 58874381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).