1-[4-(2-aminopropyl)cyclohexyl]propan-2-amine

C12H26N2 — CID 18979313

IUPAC1-[4-(2-aminopropyl)cyclohexyl]propan-2-amine
SMILESCC(N)CC1CCC(CC(C)N)CC1
InChIInChI=1S/C12H26N2/c1-9(13)7-11-3-5-12(6-4-11)8-10(2)14/h9-12H,3-8,13-14H2,1-2H3
InChIKeyWWCBKFSQYYVYCZ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.27
Rot. Bonds4

About 1-[4-(2-aminopropyl)cyclohexyl]propan-2-amine

1-[4-(2-aminopropyl)cyclohexyl]propan-2-amine (PubChem CID 18979313) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-[4-(2-aminopropyl)cyclohexyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(2-aminopropyl)cyclohexyl]propan-2-amine
PubChem CID18979313
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-[4-(2-aminopropyl)cyclohexyl]propan-2-amine
SMILESCC(N)CC1CCC(CC(C)N)CC1
InChIInChI=1S/C12H26N2/c1-9(13)7-11-3-5-12(6-4-11)8-10(2)14/h9-12H,3-8,13-14H2,1-2H3
InChIKeyWWCBKFSQYYVYCZ-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminopropyl)cyclohexyl]propan-2-amine?
The IUPAC name of 1-[4-(2-aminopropyl)cyclohexyl]propan-2-amine (CID 18979313) is 1-[4-(2-aminopropyl)cyclohexyl]propan-2-amine.
What is the SMILES notation for 1-[4-(2-aminopropyl)cyclohexyl]propan-2-amine?
The canonical SMILES for 1-[4-(2-aminopropyl)cyclohexyl]propan-2-amine is CC(N)CC1CCC(CC(C)N)CC1.
What is the InChIKey of 1-[4-(2-aminopropyl)cyclohexyl]propan-2-amine?
The InChIKey is WWCBKFSQYYVYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-9(13)7-11-3-5-12(6-4-11)8-10(2)14/h9-12H,3-8,13-14H2,1-2H3.
What are the key properties of 1-[4-(2-aminopropyl)cyclohexyl]propan-2-amine?
1-[4-(2-aminopropyl)cyclohexyl]propan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminopropyl)cyclohexyl]propan-2-amine is sourced from PubChem (CID 18979313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).