(2S)-2-amino-6-(1-aminoethylamino)-N-(2H-tetrazol-5-yl)hexanamide

C9H20N8O — CID 46781946

IUPAC(2S)-2-amino-6-(1-aminoethylamino)-N-(2H-tetrazol-5-yl)hexanamide
SMILESCC(N)NCCCC[C@H](N)C(=O)Nc1nn[nH]n1
InChIInChI=1S/C9H20N8O/c1-6(10)12-5-3-2-4-7(11)8(18)13-9-14-16-17-15-9/h6-7,12H,2-5,10-11H2,1H3,(H2,13,14,15,16,17,18)/t6?,7-/m0/s1
InChIKeyAGEDBFMDKGPUEN-MLWJPKLSSA-N
MW256.31 g/mol
LogP-1.47
Rot. Bonds8

About (2S)-2-amino-6-(1-aminoethylamino)-N-(2H-tetrazol-5-yl)hexanamide

(2S)-2-amino-6-(1-aminoethylamino)-N-(2H-tetrazol-5-yl)hexanamide (PubChem CID 46781946) has the molecular formula C9H20N8O and a molecular weight of 256.31 g/mol. Its IUPAC name is (2S)-2-amino-6-(1-aminoethylamino)-N-(2H-tetrazol-5-yl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-6-(1-aminoethylamino)-N-(2H-tetrazol-5-yl)hexanamide
PubChem CID46781946
Molecular FormulaC9H20N8O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC Name(2S)-2-amino-6-(1-aminoethylamino)-N-(2H-tetrazol-5-yl)hexanamide
SMILESCC(N)NCCCC[C@H](N)C(=O)Nc1nn[nH]n1
InChIInChI=1S/C9H20N8O/c1-6(10)12-5-3-2-4-7(11)8(18)13-9-14-16-17-15-9/h6-7,12H,2-5,10-11H2,1H3,(H2,13,14,15,16,17,18)/t6?,7-/m0/s1
InChIKeyAGEDBFMDKGPUEN-MLWJPKLSSA-N
XLogP-1.47
TPSA147.63 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-1.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-(1-aminoethylamino)-N-(2H-tetrazol-5-yl)hexanamide
CID 4086220
(2S)-2-amino-N-(2H-tetrazol-5-yl)butanamide;hydrochloride
CID 130835173
2-chloro-N-(2H-tetrazol-5-yl)propanamide
CID 82109317
3-methyl-N-(2H-tetrazol-5-yl)butanamide
CID 4550448
(2S)-2-amino-N-propan-2-yl-6-(propan-2-ylamino)hexanamide
CID 147186215
(2S)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide
CID 107569502
tert-butyl N-[(E,2S)-7-(1-aminoethylamino)-6-fluoro-1-oxo-1-(2H-tetrazol-5-ylamino)hept-5-en-2-yl]carbamate
CID 163629285
1,1-dimethyl-3-(2H-tetrazol-5-yl)urea
CID 551595
2-amino-N-(1,2,4-triazin-3-yl)hexanamide
CID 104919504
(2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-imidazol-2-yl)hexanamide
CID 15516535
1-aminoethylidene-[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(2H-tetrazol-5-ylamino)hexyl]azanium chloride
CID 11079682
(2R)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 78977288

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-(1-aminoethylamino)-N-(2H-tetrazol-5-yl)hexanamide?
The IUPAC name of (2S)-2-amino-6-(1-aminoethylamino)-N-(2H-tetrazol-5-yl)hexanamide (CID 46781946) is (2S)-2-amino-6-(1-aminoethylamino)-N-(2H-tetrazol-5-yl)hexanamide.
What is the SMILES notation for (2S)-2-amino-6-(1-aminoethylamino)-N-(2H-tetrazol-5-yl)hexanamide?
The canonical SMILES for (2S)-2-amino-6-(1-aminoethylamino)-N-(2H-tetrazol-5-yl)hexanamide is CC(N)NCCCC[C@H](N)C(=O)Nc1nn[nH]n1.
What is the InChIKey of (2S)-2-amino-6-(1-aminoethylamino)-N-(2H-tetrazol-5-yl)hexanamide?
The InChIKey is AGEDBFMDKGPUEN-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H20N8O/c1-6(10)12-5-3-2-4-7(11)8(18)13-9-14-16-17-15-9/h6-7,12H,2-5,10-11H2,1H3,(H2,13,14,15,16,17,18)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-amino-6-(1-aminoethylamino)-N-(2H-tetrazol-5-yl)hexanamide?
(2S)-2-amino-6-(1-aminoethylamino)-N-(2H-tetrazol-5-yl)hexanamide has a molecular weight of 256.31 g/mol, XLogP of -1.47, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-(1-aminoethylamino)-N-(2H-tetrazol-5-yl)hexanamide is sourced from PubChem (CID 46781946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).