N'-(4-propan-2-ylcyclohexyl)propane-1,3-diamine

C12H26N2 — CID 62707679

IUPACN'-(4-propan-2-ylcyclohexyl)propane-1,3-diamine
SMILESCC(C)C1CCC(NCCCN)CC1
InChIInChI=1S/C12H26N2/c1-10(2)11-4-6-12(7-5-11)14-9-3-8-13/h10-12,14H,3-9,13H2,1-2H3
InChIKeyYHPUIFYIPIQWBQ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.14
Rot. Bonds5

About N'-(4-propan-2-ylcyclohexyl)propane-1,3-diamine

N'-(4-propan-2-ylcyclohexyl)propane-1,3-diamine (PubChem CID 62707679) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-(4-propan-2-ylcyclohexyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-propan-2-ylcyclohexyl)propane-1,3-diamine
PubChem CID62707679
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-(4-propan-2-ylcyclohexyl)propane-1,3-diamine
SMILESCC(C)C1CCC(NCCCN)CC1
InChIInChI=1S/C12H26N2/c1-10(2)11-4-6-12(7-5-11)14-9-3-8-13/h10-12,14H,3-9,13H2,1-2H3
InChIKeyYHPUIFYIPIQWBQ-UHFFFAOYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-cyclopropylpropane-1,3-diamine
CID 44784906
N-pentyl-4-propan-2-ylcyclohexan-1-amine
CID 63418461
N-hexyl-4-propan-2-ylcyclohexan-1-amine
CID 63421018
5-[(4-propan-2-ylcyclohexyl)amino]pentan-2-ol
CID 107267674
N'-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diamine
CID 60889308
N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 114125031
N-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine
CID 103698848
N-[3-(cyclopropylmethoxy)propyl]-4-propan-2-ylcyclohexan-1-amine
CID 62703150
4-propan-2-yl-N-(5,5,5-trifluoropentyl)cycloheptan-1-amine
CID 115517023
2-methyl-5-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol
CID 113340266
2-[(4-propan-2-ylcycloheptyl)amino]ethanol
CID 65086684
N,N'-dicyclopropyl-4-methylheptane-1,7-diamine
CID 66322125

Frequently Asked Questions

What is the IUPAC name of N'-(4-propan-2-ylcyclohexyl)propane-1,3-diamine?
The IUPAC name of N'-(4-propan-2-ylcyclohexyl)propane-1,3-diamine (CID 62707679) is N'-(4-propan-2-ylcyclohexyl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-propan-2-ylcyclohexyl)propane-1,3-diamine?
The canonical SMILES for N'-(4-propan-2-ylcyclohexyl)propane-1,3-diamine is CC(C)C1CCC(NCCCN)CC1.
What is the InChIKey of N'-(4-propan-2-ylcyclohexyl)propane-1,3-diamine?
The InChIKey is YHPUIFYIPIQWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)11-4-6-12(7-5-11)14-9-3-8-13/h10-12,14H,3-9,13H2,1-2H3.
What are the key properties of N'-(4-propan-2-ylcyclohexyl)propane-1,3-diamine?
N'-(4-propan-2-ylcyclohexyl)propane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-propan-2-ylcyclohexyl)propane-1,3-diamine is sourced from PubChem (CID 62707679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).