4-(butan-2-ylamino)-1-propan-2-ylazepane-4-carboxamide

C14H29N3O — CID 65076096

IUPAC4-(butan-2-ylamino)-1-propan-2-ylazepane-4-carboxamide
SMILESCCC(C)NC1(C(N)=O)CCCN(C(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-5-12(4)16-14(13(15)18)7-6-9-17(10-8-14)11(2)3/h11-12,16H,5-10H2,1-4H3,(H2,15,18)
InChIKeyINAKNAHYTKTEHV-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.49
Rot. Bonds5

About 4-(butan-2-ylamino)-1-propan-2-ylazepane-4-carboxamide

4-(butan-2-ylamino)-1-propan-2-ylazepane-4-carboxamide (PubChem CID 65076096) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-(butan-2-ylamino)-1-propan-2-ylazepane-4-carboxamide.

Molecular Properties

Compound Name4-(butan-2-ylamino)-1-propan-2-ylazepane-4-carboxamide
PubChem CID65076096
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-(butan-2-ylamino)-1-propan-2-ylazepane-4-carboxamide
SMILESCCC(C)NC1(C(N)=O)CCCN(C(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-5-12(4)16-14(13(15)18)7-6-9-17(10-8-14)11(2)3/h11-12,16H,5-10H2,1-4H3,(H2,15,18)
InChIKeyINAKNAHYTKTEHV-UHFFFAOYSA-N
XLogP1.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(butan-2-ylamino)-1-propan-2-ylazepane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(butan-2-ylamino)cycloheptane-1-carboxamide
CID 61023374
4-(cyclohexylamino)-1-propan-2-ylazepane-4-carboxamide
CID 65075797
4-(benzylamino)-1-propan-2-ylazepane-4-carboxamide
CID 65075738
4-(4-methylanilino)-1-propan-2-ylazepane-4-carboxamide
CID 65075790
4-(2-bromoanilino)-1-propan-2-ylazepane-4-carboxamide
CID 65076342
4-(2-fluoroanilino)-1-propan-2-ylazepane-4-carboxamide
CID 65075891
methyl 4-(cyclopropylmethylamino)-1-propan-2-ylazepane-4-carboxylate
CID 65076110
1-(butan-2-ylamino)cyclohexane-1-carboxylic acid
CID 61024667
1-(butan-2-ylamino)cycloheptane-1-carboxylic acid
CID 61024147
1-(butan-2-ylamino)cyclododecane-1-carboxylic acid
CID 61024396
ethyl 4-(butan-2-ylamino)-1-propylazepane-4-carboxylate
CID 65076013
methyl 1-(butan-2-ylamino)cyclooctane-1-carboxylate
CID 54908156

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylamino)-1-propan-2-ylazepane-4-carboxamide?
The IUPAC name of 4-(butan-2-ylamino)-1-propan-2-ylazepane-4-carboxamide (CID 65076096) is 4-(butan-2-ylamino)-1-propan-2-ylazepane-4-carboxamide.
What is the SMILES notation for 4-(butan-2-ylamino)-1-propan-2-ylazepane-4-carboxamide?
The canonical SMILES for 4-(butan-2-ylamino)-1-propan-2-ylazepane-4-carboxamide is CCC(C)NC1(C(N)=O)CCCN(C(C)C)CC1.
What is the InChIKey of 4-(butan-2-ylamino)-1-propan-2-ylazepane-4-carboxamide?
The InChIKey is INAKNAHYTKTEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-12(4)16-14(13(15)18)7-6-9-17(10-8-14)11(2)3/h11-12,16H,5-10H2,1-4H3,(H2,15,18).
What are the key properties of 4-(butan-2-ylamino)-1-propan-2-ylazepane-4-carboxamide?
4-(butan-2-ylamino)-1-propan-2-ylazepane-4-carboxamide has a molecular weight of 255.41 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylamino)-1-propan-2-ylazepane-4-carboxamide is sourced from PubChem (CID 65076096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).