4-amino-N,N-dimethyl-3-(4-propan-2-ylazepan-1-yl)butanamide

C15H31N3O — CID 66431049

IUPAC4-amino-N,N-dimethyl-3-(4-propan-2-ylazepan-1-yl)butanamide
SMILESCC(C)C1CCCN(C(CN)CC(=O)N(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-12(2)13-6-5-8-18(9-7-13)14(11-16)10-15(19)17(3)4/h12-14H,5-11,16H2,1-4H3
InChIKeyQGMIHSMAFICZPJ-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.55
Rot. Bonds5

About 4-amino-N,N-dimethyl-3-(4-propan-2-ylazepan-1-yl)butanamide

4-amino-N,N-dimethyl-3-(4-propan-2-ylazepan-1-yl)butanamide (PubChem CID 66431049) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-(4-propan-2-ylazepan-1-yl)butanamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-(4-propan-2-ylazepan-1-yl)butanamide
PubChem CID66431049
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name4-amino-N,N-dimethyl-3-(4-propan-2-ylazepan-1-yl)butanamide
SMILESCC(C)C1CCCN(C(CN)CC(=O)N(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-12(2)13-6-5-8-18(9-7-13)14(11-16)10-15(19)17(3)4/h12-14H,5-11,16H2,1-4H3
InChIKeyQGMIHSMAFICZPJ-UHFFFAOYSA-N
XLogP1.55
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-(4-propan-2-ylazepan-1-yl)butanamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-(4-propan-2-ylazepan-1-yl)butanamide (CID 66431049) is 4-amino-N,N-dimethyl-3-(4-propan-2-ylazepan-1-yl)butanamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-(4-propan-2-ylazepan-1-yl)butanamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-(4-propan-2-ylazepan-1-yl)butanamide is CC(C)C1CCCN(C(CN)CC(=O)N(C)C)CC1.
What is the InChIKey of 4-amino-N,N-dimethyl-3-(4-propan-2-ylazepan-1-yl)butanamide?
The InChIKey is QGMIHSMAFICZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-12(2)13-6-5-8-18(9-7-13)14(11-16)10-15(19)17(3)4/h12-14H,5-11,16H2,1-4H3.
What are the key properties of 4-amino-N,N-dimethyl-3-(4-propan-2-ylazepan-1-yl)butanamide?
4-amino-N,N-dimethyl-3-(4-propan-2-ylazepan-1-yl)butanamide has a molecular weight of 269.43 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-(4-propan-2-ylazepan-1-yl)butanamide is sourced from PubChem (CID 66431049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).