3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide

C15H31N3O — CID 62781601

IUPAC3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide
SMILESCCN(CC)CC(C)NC(=O)C1CCC(C)C(N)C1
InChIInChI=1S/C15H31N3O/c1-5-18(6-2)10-12(4)17-15(19)13-8-7-11(3)14(16)9-13/h11-14H,5-10,16H2,1-4H3,(H,17,19)
InChIKeyCAVHTBAIZVQPGA-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.60
Rot. Bonds6

About 3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide

3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide (PubChem CID 62781601) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide
PubChem CID62781601
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide
SMILESCCN(CC)CC(C)NC(=O)C1CCC(C)C(N)C1
InChIInChI=1S/C15H31N3O/c1-5-18(6-2)10-12(4)17-15(19)13-8-7-11(3)14(16)9-13/h11-14H,5-10,16H2,1-4H3,(H,17,19)
InChIKeyCAVHTBAIZVQPGA-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide (CID 62781601) is 3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide is CCN(CC)CC(C)NC(=O)C1CCC(C)C(N)C1.
What is the InChIKey of 3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is CAVHTBAIZVQPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-18(6-2)10-12(4)17-15(19)13-8-7-11(3)14(16)9-13/h11-14H,5-10,16H2,1-4H3,(H,17,19).
What are the key properties of 3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide?
3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 62781601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).