4-amino-N-tert-butyl-3-[cycloheptyl(methyl)amino]butanamide

C16H33N3O — CID 66430006

IUPAC4-amino-N-tert-butyl-3-[cycloheptyl(methyl)amino]butanamide
SMILESCN(C1CCCCCC1)C(CN)CC(=O)NC(C)(C)C
InChIInChI=1S/C16H33N3O/c1-16(2,3)18-15(20)11-14(12-17)19(4)13-9-7-5-6-8-10-13/h13-14H,5-12,17H2,1-4H3,(H,18,20)
InChIKeyHZOOBKKIKCWHLK-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.27
Rot. Bonds5

About 4-amino-N-tert-butyl-3-[cycloheptyl(methyl)amino]butanamide

4-amino-N-tert-butyl-3-[cycloheptyl(methyl)amino]butanamide (PubChem CID 66430006) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 4-amino-N-tert-butyl-3-[cycloheptyl(methyl)amino]butanamide.

Molecular Properties

Compound Name4-amino-N-tert-butyl-3-[cycloheptyl(methyl)amino]butanamide
PubChem CID66430006
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name4-amino-N-tert-butyl-3-[cycloheptyl(methyl)amino]butanamide
SMILESCN(C1CCCCCC1)C(CN)CC(=O)NC(C)(C)C
InChIInChI=1S/C16H33N3O/c1-16(2,3)18-15(20)11-14(12-17)19(4)13-9-7-5-6-8-10-13/h13-14H,5-12,17H2,1-4H3,(H,18,20)
InChIKeyHZOOBKKIKCWHLK-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-tert-butyl-3-[methyl(oxan-4-yl)amino]butanamide
CID 66430004
4-amino-3-[cycloheptyl(methyl)amino]-1-piperidin-1-ylbutan-1-one
CID 66430294
4-amino-N-tert-butyl-3-[methyl(oxan-2-ylmethyl)amino]butanamide
CID 66432458
3-amino-2-[cycloheptyl(methyl)amino]propan-1-ol
CID 104710851
4-amino-N-tert-butyl-3-[cyclopropylmethyl(ethyl)amino]butanamide
CID 66432868
4-amino-N-tert-butyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanamide
CID 105414000
4-amino-N-tert-butyl-3-[methyl(propyl)amino]butanamide
CID 66431224
2-N-cyclopentyl-2-N,4,4-trimethylpentane-1,2-diamine
CID 62951525
tert-butyl N-[3-amino-2-[cyclobutyl(methyl)amino]propyl]carbamate
CID 102730486
4-amino-N-tert-butyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]butanamide
CID 103188107
4-amino-N-tert-butyl-3-[3-(dimethylamino)pyrrolidin-1-yl]butanamide
CID 66431436
4-amino-N-tert-butyl-3-methylbutanamide
CID 81071972

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-tert-butyl-3-[cycloheptyl(methyl)amino]butanamide?
The IUPAC name of 4-amino-N-tert-butyl-3-[cycloheptyl(methyl)amino]butanamide (CID 66430006) is 4-amino-N-tert-butyl-3-[cycloheptyl(methyl)amino]butanamide.
What is the SMILES notation for 4-amino-N-tert-butyl-3-[cycloheptyl(methyl)amino]butanamide?
The canonical SMILES for 4-amino-N-tert-butyl-3-[cycloheptyl(methyl)amino]butanamide is CN(C1CCCCCC1)C(CN)CC(=O)NC(C)(C)C.
What is the InChIKey of 4-amino-N-tert-butyl-3-[cycloheptyl(methyl)amino]butanamide?
The InChIKey is HZOOBKKIKCWHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-16(2,3)18-15(20)11-14(12-17)19(4)13-9-7-5-6-8-10-13/h13-14H,5-12,17H2,1-4H3,(H,18,20).
What are the key properties of 4-amino-N-tert-butyl-3-[cycloheptyl(methyl)amino]butanamide?
4-amino-N-tert-butyl-3-[cycloheptyl(methyl)amino]butanamide has a molecular weight of 283.46 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-tert-butyl-3-[cycloheptyl(methyl)amino]butanamide is sourced from PubChem (CID 66430006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).