N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(tetrazol-1-yl)butanamide

C13H24N6O — CID 122568157

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-4-(tetrazol-1-yl)butanamide
SMILESCN(C)C1(CNC(=O)CCCn2cnnn2)CCCC1
InChIInChI=1S/C13H24N6O/c1-18(2)13(7-3-4-8-13)10-14-12(20)6-5-9-19-11-15-16-17-19/h11H,3-10H2,1-2H3,(H,14,20)
InChIKeyBCUNNLHRDQEFOY-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.44
Rot. Bonds7

About N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(tetrazol-1-yl)butanamide

N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(tetrazol-1-yl)butanamide (PubChem CID 122568157) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(tetrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-4-(tetrazol-1-yl)butanamide
PubChem CID122568157
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-4-(tetrazol-1-yl)butanamide
SMILESCN(C)C1(CNC(=O)CCCn2cnnn2)CCCC1
InChIInChI=1S/C13H24N6O/c1-18(2)13(7-3-4-8-13)10-14-12(20)6-5-9-19-11-15-16-17-19/h11H,3-10H2,1-2H3,(H,14,20)
InChIKeyBCUNNLHRDQEFOY-UHFFFAOYSA-N
XLogP0.44
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid
CID 83116908
5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pentanamide
CID 83117115
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide
CID 62836666
N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-(tetrazol-1-yl)propanamide
CID 122556371
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide
CID 122564590
3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide
CID 105415955
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide
CID 61248624
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide
CID 83109875
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(tetrazol-1-yl)butanamide
CID 118785590
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(tetrazol-1-yl)butanamide
CID 125165762
3-[[1-(dimethylamino)cyclopentyl]methyl]-1,1-diethylurea
CID 113223972
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-sulfamoylbutanamide;formic acid
CID 154913579

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(tetrazol-1-yl)butanamide?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(tetrazol-1-yl)butanamide (CID 122568157) is N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(tetrazol-1-yl)butanamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(tetrazol-1-yl)butanamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(tetrazol-1-yl)butanamide is CN(C)C1(CNC(=O)CCCn2cnnn2)CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(tetrazol-1-yl)butanamide?
The InChIKey is BCUNNLHRDQEFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-18(2)13(7-3-4-8-13)10-14-12(20)6-5-9-19-11-15-16-17-19/h11H,3-10H2,1-2H3,(H,14,20).
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(tetrazol-1-yl)butanamide?
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(tetrazol-1-yl)butanamide has a molecular weight of 280.38 g/mol, XLogP of 0.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(tetrazol-1-yl)butanamide is sourced from PubChem (CID 122568157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).