4-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylcyclohexane-1-carboxamide

C14H28N2O2 — CID 62806942

IUPAC4-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)N(CCCO)C(=O)C1CCC(CN)CC1
InChIInChI=1S/C14H28N2O2/c1-11(2)16(8-3-9-17)14(18)13-6-4-12(10-15)5-7-13/h11-13,17H,3-10,15H2,1-2H3
InChIKeyZUUSHVOSEXTWDZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.37
Rot. Bonds6

About 4-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylcyclohexane-1-carboxamide

4-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 62806942) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID62806942
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)N(CCCO)C(=O)C1CCC(CN)CC1
InChIInChI=1S/C14H28N2O2/c1-11(2)16(8-3-9-17)14(18)13-6-4-12(10-15)5-7-13/h11-13,17H,3-10,15H2,1-2H3
InChIKeyZUUSHVOSEXTWDZ-UHFFFAOYSA-N
XLogP1.37
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylcyclohexane-1-carboxamide (CID 62806942) is 4-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylcyclohexane-1-carboxamide is CC(C)N(CCCO)C(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is ZUUSHVOSEXTWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)16(8-3-9-17)14(18)13-6-4-12(10-15)5-7-13/h11-13,17H,3-10,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylcyclohexane-1-carboxamide?
4-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 62806942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).