3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide

C14H29N3O — CID 119834021

IUPAC3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide
SMILESCC(N)CC(=O)NCC1(N(C)C)CCCCCC1
InChIInChI=1S/C14H29N3O/c1-12(15)10-13(18)16-11-14(17(2)3)8-6-4-5-7-9-14/h12H,4-11,15H2,1-3H3,(H,16,18)
InChIKeyBCAGRVJGIQVUGR-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.49
Rot. Bonds5

About 3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide

3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide (PubChem CID 119834021) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide
PubChem CID119834021
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide
SMILESCC(N)CC(=O)NCC1(N(C)C)CCCCCC1
InChIInChI=1S/C14H29N3O/c1-12(15)10-13(18)16-11-14(17(2)3)8-6-4-5-7-9-14/h12H,4-11,15H2,1-3H3,(H,16,18)
InChIKeyBCAGRVJGIQVUGR-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

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Related Compounds

N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide
CID 167805292
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide
CID 61210809
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide
CID 61248624
3-amino-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]butanamide
CID 119891327
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-phenylbutanamide
CID 4787583
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide
CID 83109875
2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanamide
CID 61248438
6-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylhexanamide
CID 83110420
1-[(3-aminobutanoylamino)methyl]cyclopentane-1-carboxamide
CID 119789655
3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-sulfanylidenepropanamide
CID 83109897
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbutanamide
CID 105417065
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide
CID 107034071

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide?
The IUPAC name of 3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide (CID 119834021) is 3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide.
What is the SMILES notation for 3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide?
The canonical SMILES for 3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide is CC(N)CC(=O)NCC1(N(C)C)CCCCCC1.
What is the InChIKey of 3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide?
The InChIKey is BCAGRVJGIQVUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-12(15)10-13(18)16-11-14(17(2)3)8-6-4-5-7-9-14/h12H,4-11,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide?
3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide 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 3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide is sourced from PubChem (CID 119834021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).