N-(2-chloro-4-methylpentyl)-1-methyltetrazol-5-amine

C8H16ClN5 — CID 107156271

IUPACN-(2-chloro-4-methylpentyl)-1-methyltetrazol-5-amine
SMILESCC(C)CC(Cl)CNc1nnnn1C
InChIInChI=1S/C8H16ClN5/c1-6(2)4-7(9)5-10-8-11-12-13-14(8)3/h6-7H,4-5H2,1-3H3,(H,10,11,13)
InChIKeyVKJJTZMQDSLTLY-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.28
Rot. Bonds5

About N-(2-chloro-4-methylpentyl)-1-methyltetrazol-5-amine

N-(2-chloro-4-methylpentyl)-1-methyltetrazol-5-amine (PubChem CID 107156271) has the molecular formula C8H16ClN5 and a molecular weight of 217.70 g/mol. Its IUPAC name is N-(2-chloro-4-methylpentyl)-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-(2-chloro-4-methylpentyl)-1-methyltetrazol-5-amine
PubChem CID107156271
Molecular FormulaC8H16ClN5
Molecular Weight217.70 g/mol
Exact Mass217.11
IUPAC NameN-(2-chloro-4-methylpentyl)-1-methyltetrazol-5-amine
SMILESCC(C)CC(Cl)CNc1nnnn1C
InChIInChI=1S/C8H16ClN5/c1-6(2)4-7(9)5-10-8-11-12-13-14(8)3/h6-7H,4-5H2,1-3H3,(H,10,11,13)
InChIKeyVKJJTZMQDSLTLY-UHFFFAOYSA-N
XLogP1.28
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-amine
CID 102913752
N-(2,2-difluoroethyl)-1-methyltetrazol-5-amine
CID 79099576
1-[(1-methyltetrazol-5-yl)amino]propane-2-sulfonamide
CID 130611826
3-methyl-2-[[(1-methyltetrazol-5-yl)amino]methyl]butanoic acid
CID 65226801
3-[[(1-methyltetrazol-5-yl)amino]methyl]hexan-1-ol
CID 103705100
N-(2-methylpropyl)-2-[(1-methyltetrazol-5-yl)amino]acetamide
CID 115618185
1-cyclopropyl-N'-(1-methyltetrazol-5-yl)ethane-1,2-diamine
CID 63758915
2-[(1-methyltetrazol-5-yl)amino]ethanol
CID 63152176
N-(4-chloro-2,2-dimethylbutyl)-1-methyltetrazol-5-amine
CID 106141858
N',N'-dimethyl-N-(1-methyltetrazol-5-yl)ethane-1,2-diamine
CID 63152406
N'-methyl-N-(1-methyltetrazol-5-yl)-N'-propan-2-ylbutane-1,4-diamine
CID 63150397
N'-(1-methyltetrazol-5-yl)butane-1,4-diamine
CID 63152546

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylpentyl)-1-methyltetrazol-5-amine?
The IUPAC name of N-(2-chloro-4-methylpentyl)-1-methyltetrazol-5-amine (CID 107156271) is N-(2-chloro-4-methylpentyl)-1-methyltetrazol-5-amine.
What is the SMILES notation for N-(2-chloro-4-methylpentyl)-1-methyltetrazol-5-amine?
The canonical SMILES for N-(2-chloro-4-methylpentyl)-1-methyltetrazol-5-amine is CC(C)CC(Cl)CNc1nnnn1C.
What is the InChIKey of N-(2-chloro-4-methylpentyl)-1-methyltetrazol-5-amine?
The InChIKey is VKJJTZMQDSLTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN5/c1-6(2)4-7(9)5-10-8-11-12-13-14(8)3/h6-7H,4-5H2,1-3H3,(H,10,11,13).
What are the key properties of N-(2-chloro-4-methylpentyl)-1-methyltetrazol-5-amine?
N-(2-chloro-4-methylpentyl)-1-methyltetrazol-5-amine has a molecular weight of 217.70 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylpentyl)-1-methyltetrazol-5-amine is sourced from PubChem (CID 107156271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).