2,2-dipropylcyclohexane-1,1-diamine

C12H26N2 — CID 175187242

IUPAC2,2-dipropylcyclohexane-1,1-diamine
SMILESCCCC1(CCC)CCCCC1(N)N
InChIInChI=1S/C12H26N2/c1-3-7-11(8-4-2)9-5-6-10-12(11,13)14/h3-10,13-14H2,1-2H3
InChIKeyRTBVZBYIVSFFFH-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.76
Rot. Bonds4

About 2,2-dipropylcyclohexane-1,1-diamine

2,2-dipropylcyclohexane-1,1-diamine (PubChem CID 175187242) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2,2-dipropylcyclohexane-1,1-diamine.

Molecular Properties

Compound Name2,2-dipropylcyclohexane-1,1-diamine
PubChem CID175187242
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2,2-dipropylcyclohexane-1,1-diamine
SMILESCCCC1(CCC)CCCCC1(N)N
InChIInChI=1S/C12H26N2/c1-3-7-11(8-4-2)9-5-6-10-12(11,13)14/h3-10,13-14H2,1-2H3
InChIKeyRTBVZBYIVSFFFH-UHFFFAOYSA-N
XLogP2.76
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-1,2-dipropylcyclohexyl)methyl]-1,2-dipropylcyclohexan-1-amine
CID 68741612
1-[(1-amino-2-ethyl-2-propylcyclohexyl)methyl]-2-ethyl-2-propylcyclohexan-1-amine
CID 68738336
2,2-bis(aminomethyl)cyclohexane-1,1-diamine
CID 67262117
azane;1-propylcyclopentan-1-amine
CID 118268242
2-[2,2-diamino-1-(carboxymethyl)cyclohexyl]acetic acid
CID 57123827
1,1,2,2-tetra(pentadecyl)cyclohexane
CID 175058240
methanamine;1-methyl-1-propylcyclohexane
CID 143166123
1-butylcyclohexan-1-amine
CID 13182498
2-[(2-amino-1,2-diethylcyclohexyl)methyl]-1,2-diethylcyclohexan-1-amine
CID 68739353
N-ethyl-1-propylcyclohexan-1-amine
CID 581031
1-butylcyclohexan-1-amine;hydrochloride
CID 45264189
1-bromo-1-propylcyclohexane
CID 23364805

Frequently Asked Questions

What is the IUPAC name of 2,2-dipropylcyclohexane-1,1-diamine?
The IUPAC name of 2,2-dipropylcyclohexane-1,1-diamine (CID 175187242) is 2,2-dipropylcyclohexane-1,1-diamine.
What is the SMILES notation for 2,2-dipropylcyclohexane-1,1-diamine?
The canonical SMILES for 2,2-dipropylcyclohexane-1,1-diamine is CCCC1(CCC)CCCCC1(N)N.
What is the InChIKey of 2,2-dipropylcyclohexane-1,1-diamine?
The InChIKey is RTBVZBYIVSFFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-7-11(8-4-2)9-5-6-10-12(11,13)14/h3-10,13-14H2,1-2H3.
What are the key properties of 2,2-dipropylcyclohexane-1,1-diamine?
2,2-dipropylcyclohexane-1,1-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dipropylcyclohexane-1,1-diamine is sourced from PubChem (CID 175187242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).