N'-[amino(cyclohexyl)methyl]-1-cyclohexylmethanediamine

C14H29N3 — CID 118145189

IUPACN'-[amino(cyclohexyl)methyl]-1-cyclohexylmethanediamine
SMILESNC(NC(N)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H29N3/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h11-14,17H,1-10,15-16H2
InChIKeyQWTDDEVJIOETJK-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.31
Rot. Bonds4

About N'-[amino(cyclohexyl)methyl]-1-cyclohexylmethanediamine

N'-[amino(cyclohexyl)methyl]-1-cyclohexylmethanediamine (PubChem CID 118145189) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N'-[amino(cyclohexyl)methyl]-1-cyclohexylmethanediamine.

Molecular Properties

Compound NameN'-[amino(cyclohexyl)methyl]-1-cyclohexylmethanediamine
PubChem CID118145189
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN'-[amino(cyclohexyl)methyl]-1-cyclohexylmethanediamine
SMILESNC(NC(N)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H29N3/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h11-14,17H,1-10,15-16H2
InChIKeyQWTDDEVJIOETJK-UHFFFAOYSA-N
XLogP2.31
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[amino(cyclohexyl)methyl]-1-cyclohexylmethanediamine?
The IUPAC name of N'-[amino(cyclohexyl)methyl]-1-cyclohexylmethanediamine (CID 118145189) is N'-[amino(cyclohexyl)methyl]-1-cyclohexylmethanediamine.
What is the SMILES notation for N'-[amino(cyclohexyl)methyl]-1-cyclohexylmethanediamine?
The canonical SMILES for N'-[amino(cyclohexyl)methyl]-1-cyclohexylmethanediamine is NC(NC(N)C1CCCCC1)C1CCCCC1.
What is the InChIKey of N'-[amino(cyclohexyl)methyl]-1-cyclohexylmethanediamine?
The InChIKey is QWTDDEVJIOETJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h11-14,17H,1-10,15-16H2.
What are the key properties of N'-[amino(cyclohexyl)methyl]-1-cyclohexylmethanediamine?
N'-[amino(cyclohexyl)methyl]-1-cyclohexylmethanediamine has a molecular weight of 239.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[amino(cyclohexyl)methyl]-1-cyclohexylmethanediamine is sourced from PubChem (CID 118145189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).