2,2-bis(aminomethyl)cyclohexane-1,1-diamine

C8H20N4 — CID 67262117

IUPAC2,2-bis(aminomethyl)cyclohexane-1,1-diamine
SMILESNCC1(CN)CCCCC1(N)N
InChIInChI=1S/C8H20N4/c9-5-7(6-10)3-1-2-4-8(7,11)12/h1-6,9-12H2
InChIKeyFDVGWNKJTSDJOF-UHFFFAOYSA-N
MW172.28 g/mol
LogP-0.92
Rot. Bonds2

About 2,2-bis(aminomethyl)cyclohexane-1,1-diamine

2,2-bis(aminomethyl)cyclohexane-1,1-diamine (PubChem CID 67262117) has the molecular formula C8H20N4 and a molecular weight of 172.28 g/mol. Its IUPAC name is 2,2-bis(aminomethyl)cyclohexane-1,1-diamine.

Molecular Properties

Compound Name2,2-bis(aminomethyl)cyclohexane-1,1-diamine
PubChem CID67262117
Molecular FormulaC8H20N4
Molecular Weight172.28 g/mol
Exact Mass172.17
IUPAC Name2,2-bis(aminomethyl)cyclohexane-1,1-diamine
SMILESNCC1(CN)CCCCC1(N)N
InChIInChI=1S/C8H20N4/c9-5-7(6-10)3-1-2-4-8(7,11)12/h1-6,9-12H2
InChIKeyFDVGWNKJTSDJOF-UHFFFAOYSA-N
XLogP-0.92
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[1-(Aminomethyl)cyclohexyl]methanamine
CID 71994
2,2-Dimethylcyclohexan-1-amine
CID 14405857
2-[1-(2-azanylethyl)cyclohexyl]ethanaMine
CID 21424308
2-(Aminomethyl-cyclohexyl)-ethylamine
CID 69583699
(r)-2,2-Dimethylcyclohexanamine
CID 5324014
(1S)-2,2-dimethylcyclohexanamine
CID 5324015
3-[1-(Aminomethyl)cyclohexyl]propan-1-amine
CID 19426416
[1-(Aminomethyl)cyclohexyl]methanamine;platinum(2+)
CID 19897942
2-(Aminomethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 22023466
1-[1-(Aminomethyl)cyclohexyl]ethanamine
CID 22174595
2,2-Dimethylcyclohexane-1,1-diamine
CID 22286737
2-(Aminomethyl)-2,6,6-trimethylcyclohexan-1-amine
CID 22607029

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(aminomethyl)cyclohexane-1,1-diamine?
The IUPAC name of 2,2-bis(aminomethyl)cyclohexane-1,1-diamine (CID 67262117) is 2,2-bis(aminomethyl)cyclohexane-1,1-diamine.
What is the SMILES notation for 2,2-bis(aminomethyl)cyclohexane-1,1-diamine?
The canonical SMILES for 2,2-bis(aminomethyl)cyclohexane-1,1-diamine is NCC1(CN)CCCCC1(N)N.
What is the InChIKey of 2,2-bis(aminomethyl)cyclohexane-1,1-diamine?
The InChIKey is FDVGWNKJTSDJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4/c9-5-7(6-10)3-1-2-4-8(7,11)12/h1-6,9-12H2.
What are the key properties of 2,2-bis(aminomethyl)cyclohexane-1,1-diamine?
2,2-bis(aminomethyl)cyclohexane-1,1-diamine has a molecular weight of 172.28 g/mol, XLogP of -0.92, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(aminomethyl)cyclohexane-1,1-diamine is sourced from PubChem (CID 67262117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).