2-cyclobutyl-N-(hydrazinylmethyl)-2-methylpropan-1-amine

C9H21N3 — CID 115261517

IUPAC2-cyclobutyl-N-(hydrazinylmethyl)-2-methylpropan-1-amine
SMILESCC(C)(CNCNN)C1CCC1
InChIInChI=1S/C9H21N3/c1-9(2,6-11-7-12-10)8-4-3-5-8/h8,11-12H,3-7,10H2,1-2H3
InChIKeyYFVFJZINSKNIGF-UHFFFAOYSA-N
MW171.29 g/mol
LogP0.82
Rot. Bonds5

About 2-cyclobutyl-N-(hydrazinylmethyl)-2-methylpropan-1-amine

2-cyclobutyl-N-(hydrazinylmethyl)-2-methylpropan-1-amine (PubChem CID 115261517) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 2-cyclobutyl-N-(hydrazinylmethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-cyclobutyl-N-(hydrazinylmethyl)-2-methylpropan-1-amine
PubChem CID115261517
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name2-cyclobutyl-N-(hydrazinylmethyl)-2-methylpropan-1-amine
SMILESCC(C)(CNCNN)C1CCC1
InChIInChI=1S/C9H21N3/c1-9(2,6-11-7-12-10)8-4-3-5-8/h8,11-12H,3-7,10H2,1-2H3
InChIKeyYFVFJZINSKNIGF-UHFFFAOYSA-N
XLogP0.82
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-cyclopentyl-2-methylpropyl)-2-methylpropane-1,2-diamine
CID 115136380
N'-(2-cyclopentyl-2-methylpropyl)-2,2-dimethylpropane-1,3-diamine
CID 115200319
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-cyclobutyl-2-methylpropan-1-amine
CID 115244471
1-[(2-cyclobutyl-2-methylpropyl)amino]propan-2-one
CID 115235348
1-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclopropan-1-amine
CID 115257163
N-(azetidin-3-ylmethyl)-2-cyclohexyl-2-methylpropan-1-amine
CID 115208032
N'-(2-cyclopentyl-2-methylpropyl)-2-methylpropane-1,3-diamine
CID 115198967
4-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 115213767
2-[(2-cyclohexyl-2-methylpropyl)amino]ethanol
CID 115216597
2-[(2-cyclohexyl-2-methylpropyl)amino]acetaldehyde
CID 115223611
3-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,3-diamine
CID 115135098
(E)-4-[(2-cyclobutyl-2-methylpropyl)amino]-4-oxobut-2-enoic acid
CID 115177367

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-(hydrazinylmethyl)-2-methylpropan-1-amine?
The IUPAC name of 2-cyclobutyl-N-(hydrazinylmethyl)-2-methylpropan-1-amine (CID 115261517) is 2-cyclobutyl-N-(hydrazinylmethyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-cyclobutyl-N-(hydrazinylmethyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-cyclobutyl-N-(hydrazinylmethyl)-2-methylpropan-1-amine is CC(C)(CNCNN)C1CCC1.
What is the InChIKey of 2-cyclobutyl-N-(hydrazinylmethyl)-2-methylpropan-1-amine?
The InChIKey is YFVFJZINSKNIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-9(2,6-11-7-12-10)8-4-3-5-8/h8,11-12H,3-7,10H2,1-2H3.
What are the key properties of 2-cyclobutyl-N-(hydrazinylmethyl)-2-methylpropan-1-amine?
2-cyclobutyl-N-(hydrazinylmethyl)-2-methylpropan-1-amine has a molecular weight of 171.29 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-(hydrazinylmethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 115261517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).