4-(methylamino)-N-[1-(2H-tetrazol-5-yl)butyl]butanamide;hydrochloride

C10H21ClN6O — CID 119813138

IUPAC4-(methylamino)-N-[1-(2H-tetrazol-5-yl)butyl]butanamide;hydrochloride
SMILESCCCC(NC(=O)CCCNC)c1nn[nH]n1.Cl
InChIInChI=1S/C10H20N6O.ClH/c1-3-5-8(10-13-15-16-14-10)12-9(17)6-4-7-11-2;/h8,11H,3-7H2,1-2H3,(H,12,17)(H,13,14,15,16);1H
InChIKeyUBGMJUSRKTZXHY-UHFFFAOYSA-N
MW276.77 g/mol
LogP0.58
Rot. Bonds8

About 4-(methylamino)-N-[1-(2H-tetrazol-5-yl)butyl]butanamide;hydrochloride

4-(methylamino)-N-[1-(2H-tetrazol-5-yl)butyl]butanamide;hydrochloride (PubChem CID 119813138) has the molecular formula C10H21ClN6O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-(methylamino)-N-[1-(2H-tetrazol-5-yl)butyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[1-(2H-tetrazol-5-yl)butyl]butanamide;hydrochloride
PubChem CID119813138
Molecular FormulaC10H21ClN6O
Molecular Weight276.77 g/mol
Exact Mass276.15
IUPAC Name4-(methylamino)-N-[1-(2H-tetrazol-5-yl)butyl]butanamide;hydrochloride
SMILESCCCC(NC(=O)CCCNC)c1nn[nH]n1.Cl
InChIInChI=1S/C10H20N6O.ClH/c1-3-5-8(10-13-15-16-14-10)12-9(17)6-4-7-11-2;/h8,11H,3-7H2,1-2H3,(H,12,17)(H,13,14,15,16);1H
InChIKeyUBGMJUSRKTZXHY-UHFFFAOYSA-N
XLogP0.58
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-N-[1-(2H-tetrazol-5-yl)butyl]propanamide;hydrochloride
CID 120611610
2-(2-methoxyethylamino)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide
CID 119813161
N-[1-(2H-tetrazol-5-yl)ethyl]dodecanamide
CID 65426546
N-[1-(2H-tetrazol-5-yl)butyl]-2-thiomorpholin-3-ylacetamide
CID 119940232
5-amino-N-[1-(2H-tetrazol-5-yl)ethyl]hexanamide
CID 82851846
2-(2-oxo-3H-benzimidazol-1-yl)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide
CID 71920445
5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-3-carboxamide
CID 71920433
5-hydroxy-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide
CID 79209401
tert-butyl (2S)-2-amino-5-[[(1R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-1-(2H-tetrazol-5-yl)butyl]amino]-5-oxopentanoate
CID 10693015
1-methyl-3-propan-2-yl-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]pyrazole-5-carboxamide
CID 97098017
N-hex-1-yn-3-yl-4-(methylamino)butanamide
CID 106230477
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]acetamide
CID 99814771

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[1-(2H-tetrazol-5-yl)butyl]butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-[1-(2H-tetrazol-5-yl)butyl]butanamide;hydrochloride (CID 119813138) is 4-(methylamino)-N-[1-(2H-tetrazol-5-yl)butyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[1-(2H-tetrazol-5-yl)butyl]butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-[1-(2H-tetrazol-5-yl)butyl]butanamide;hydrochloride is CCCC(NC(=O)CCCNC)c1nn[nH]n1.Cl.
What is the InChIKey of 4-(methylamino)-N-[1-(2H-tetrazol-5-yl)butyl]butanamide;hydrochloride?
The InChIKey is UBGMJUSRKTZXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O.ClH/c1-3-5-8(10-13-15-16-14-10)12-9(17)6-4-7-11-2;/h8,11H,3-7H2,1-2H3,(H,12,17)(H,13,14,15,16);1H.
What are the key properties of 4-(methylamino)-N-[1-(2H-tetrazol-5-yl)butyl]butanamide;hydrochloride?
4-(methylamino)-N-[1-(2H-tetrazol-5-yl)butyl]butanamide;hydrochloride has a molecular weight of 276.77 g/mol, XLogP of 0.58, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[1-(2H-tetrazol-5-yl)butyl]butanamide;hydrochloride is sourced from PubChem (CID 119813138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).