1-[4-[[4-(1-aminoethoxy)cyclohexyl]methyl]cyclohexyl]propan-2-amine

C18H36N2O — CID 138745721

IUPAC1-[4-[[4-(1-aminoethoxy)cyclohexyl]methyl]cyclohexyl]propan-2-amine
SMILESCC(N)CC1CCC(CC2CCC(OC(C)N)CC2)CC1
InChIInChI=1S/C18H36N2O/c1-13(19)11-15-3-5-16(6-4-15)12-17-7-9-18(10-8-17)21-14(2)20/h13-18H,3-12,19-20H2,1-2H3
InChIKeySIZPKXVXAHMBAG-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.80
Rot. Bonds6

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

1-[4-[[4-(1-aminoethoxy)cyclohexyl]methyl]cyclohexyl]propan-2-amine (PubChem CID 138745721) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-[4-[[4-(1-aminoethoxy)cyclohexyl]methyl]cyclohexyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-[[4-(1-aminoethoxy)cyclohexyl]methyl]cyclohexyl]propan-2-amine
PubChem CID138745721
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-[4-[[4-(1-aminoethoxy)cyclohexyl]methyl]cyclohexyl]propan-2-amine
SMILESCC(N)CC1CCC(CC2CCC(OC(C)N)CC2)CC1
InChIInChI=1S/C18H36N2O/c1-13(19)11-15-3-5-16(6-4-15)12-17-7-9-18(10-8-17)21-14(2)20/h13-18H,3-12,19-20H2,1-2H3
InChIKeySIZPKXVXAHMBAG-UHFFFAOYSA-N
XLogP3.80
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.80
H-Bond Donors ≤ 52
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 1-[4-[[4-(1-aminoethoxy)cyclohexyl]methyl]cyclohexyl]propan-2-amine?
The IUPAC name of 1-[4-[[4-(1-aminoethoxy)cyclohexyl]methyl]cyclohexyl]propan-2-amine (CID 138745721) is 1-[4-[[4-(1-aminoethoxy)cyclohexyl]methyl]cyclohexyl]propan-2-amine.
What is the SMILES notation for 1-[4-[[4-(1-aminoethoxy)cyclohexyl]methyl]cyclohexyl]propan-2-amine?
The canonical SMILES for 1-[4-[[4-(1-aminoethoxy)cyclohexyl]methyl]cyclohexyl]propan-2-amine is CC(N)CC1CCC(CC2CCC(OC(C)N)CC2)CC1.
What is the InChIKey of 1-[4-[[4-(1-aminoethoxy)cyclohexyl]methyl]cyclohexyl]propan-2-amine?
The InChIKey is SIZPKXVXAHMBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-13(19)11-15-3-5-16(6-4-15)12-17-7-9-18(10-8-17)21-14(2)20/h13-18H,3-12,19-20H2,1-2H3.
What are the key properties of 1-[4-[[4-(1-aminoethoxy)cyclohexyl]methyl]cyclohexyl]propan-2-amine?
1-[4-[[4-(1-aminoethoxy)cyclohexyl]methyl]cyclohexyl]propan-2-amine has a molecular weight of 296.50 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(1-aminoethoxy)cyclohexyl]methyl]cyclohexyl]propan-2-amine is sourced from PubChem (CID 138745721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).