4-N,4-N-dicyclopropylcyclohexane-1,4-diamine

C12H22N2 — CID 87423929

IUPAC4-N,4-N-dicyclopropylcyclohexane-1,4-diamine
SMILESNC1CCC(N(C2CC2)C2CC2)CC1
InChIInChI=1S/C12H22N2/c13-9-1-3-10(4-2-9)14(11-5-6-11)12-7-8-12/h9-12H,1-8,13H2
InChIKeyVQIYLDWBUAESLI-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.88
Rot. Bonds3

About 4-N,4-N-dicyclopropylcyclohexane-1,4-diamine

4-N,4-N-dicyclopropylcyclohexane-1,4-diamine (PubChem CID 87423929) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-N,4-N-dicyclopropylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dicyclopropylcyclohexane-1,4-diamine
PubChem CID87423929
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name4-N,4-N-dicyclopropylcyclohexane-1,4-diamine
SMILESNC1CCC(N(C2CC2)C2CC2)CC1
InChIInChI=1S/C12H22N2/c13-9-1-3-10(4-2-9)14(11-5-6-11)12-7-8-12/h9-12H,1-8,13H2
InChIKeyVQIYLDWBUAESLI-UHFFFAOYSA-N
XLogP1.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Diethyl-1,4-cyclohexanediamine
CID 349884
4-N,4-N-bis(3-aminopropyl)cyclohexane-1,4-diamine
CID 69584282
4-N-[(1S,2S)-2-fluorocyclopropyl]cyclohexane-1,4-diamine
CID 89518693
cis-1,4-Cyclohexanediamine, N1,N1,N4-triethyl
CID 18364428
4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
CID 62807258
4-N-[(1-fluorocyclopropyl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 130921771
4-N,4-N-diethyl-1-N-methylcyclohexane-1,4-diamine
CID 18364445
N-isopropyl-N-methyl-cis-cyclohexane-1,4-diamine
CID 18419789
4-N-(cyclopropylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 57650675
4-N-methyl-1-N,4-N-di(propan-2-yl)cyclohexane-1,4-diamine
CID 57821976
4-N-methyl-4-N-propylcyclohexane-1,4-diamine
CID 59255643
4-N-ethyl-4-N-propan-2-ylcyclohexane-1,4-diamine
CID 59289542

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dicyclopropylcyclohexane-1,4-diamine?
The IUPAC name of 4-N,4-N-dicyclopropylcyclohexane-1,4-diamine (CID 87423929) is 4-N,4-N-dicyclopropylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dicyclopropylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N,4-N-dicyclopropylcyclohexane-1,4-diamine is NC1CCC(N(C2CC2)C2CC2)CC1.
What is the InChIKey of 4-N,4-N-dicyclopropylcyclohexane-1,4-diamine?
The InChIKey is VQIYLDWBUAESLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c13-9-1-3-10(4-2-9)14(11-5-6-11)12-7-8-12/h9-12H,1-8,13H2.
What are the key properties of 4-N,4-N-dicyclopropylcyclohexane-1,4-diamine?
4-N,4-N-dicyclopropylcyclohexane-1,4-diamine has a molecular weight of 194.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dicyclopropylcyclohexane-1,4-diamine is sourced from PubChem (CID 87423929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).