2-(4-butan-2-ylphenyl)-N-(hydrazinylmethyl)ethanamine

C13H23N3 — CID 115261083

IUPAC2-(4-butan-2-ylphenyl)-N-(hydrazinylmethyl)ethanamine
SMILESCCC(C)c1ccc(CCNCNN)cc1
InChIInChI=1S/C13H23N3/c1-3-11(2)13-6-4-12(5-7-13)8-9-15-10-16-14/h4-7,11,15-16H,3,8-10,14H2,1-2H3
InChIKeyUHVUUJIQJBVDPF-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.75
Rot. Bonds7

About 2-(4-butan-2-ylphenyl)-N-(hydrazinylmethyl)ethanamine

2-(4-butan-2-ylphenyl)-N-(hydrazinylmethyl)ethanamine (PubChem CID 115261083) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenyl)-N-(hydrazinylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-butan-2-ylphenyl)-N-(hydrazinylmethyl)ethanamine
PubChem CID115261083
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-(4-butan-2-ylphenyl)-N-(hydrazinylmethyl)ethanamine
SMILESCCC(C)c1ccc(CCNCNN)cc1
InChIInChI=1S/C13H23N3/c1-3-11(2)13-6-4-12(5-7-13)8-9-15-10-16-14/h4-7,11,15-16H,3,8-10,14H2,1-2H3
InChIKeyUHVUUJIQJBVDPF-UHFFFAOYSA-N
XLogP1.75
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.75
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

N-(hydrazinylmethyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115261061
N-[2-(4-butan-2-ylphenyl)ethyl]-2-methylpropan-1-amine
CID 82262124
2-[2-(4-butan-2-ylphenyl)ethylamino]acetamide
CID 115260076
2-amino-3-[2-(4-butan-2-ylphenyl)ethylamino]propanoic acid
CID 115240826
6-(4-butan-2-ylphenyl)-N-methylhexan-1-amine
CID 65308641
N-[2-(4-butan-2-ylphenyl)ethyl]-2-chloroacetamide
CID 115162107
methyl N-[2-(4-butan-2-ylphenyl)ethyl]carbamate
CID 115190710
4-[2-(4-butan-2-ylphenyl)ethylamino]butanoic acid
CID 115218703
N-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine
CID 82262237
N'-[(4-butan-2-ylphenyl)methyl]ethane-1,2-diamine
CID 115195281
1-butan-2-yl-4-(2-chloroethyl)benzene
CID 82255556
1-(4-butan-2-ylphenyl)pentan-3-amine
CID 112513140

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenyl)-N-(hydrazinylmethyl)ethanamine?
The IUPAC name of 2-(4-butan-2-ylphenyl)-N-(hydrazinylmethyl)ethanamine (CID 115261083) is 2-(4-butan-2-ylphenyl)-N-(hydrazinylmethyl)ethanamine.
What is the SMILES notation for 2-(4-butan-2-ylphenyl)-N-(hydrazinylmethyl)ethanamine?
The canonical SMILES for 2-(4-butan-2-ylphenyl)-N-(hydrazinylmethyl)ethanamine is CCC(C)c1ccc(CCNCNN)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenyl)-N-(hydrazinylmethyl)ethanamine?
The InChIKey is UHVUUJIQJBVDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-11(2)13-6-4-12(5-7-13)8-9-15-10-16-14/h4-7,11,15-16H,3,8-10,14H2,1-2H3.
What are the key properties of 2-(4-butan-2-ylphenyl)-N-(hydrazinylmethyl)ethanamine?
2-(4-butan-2-ylphenyl)-N-(hydrazinylmethyl)ethanamine has a molecular weight of 221.35 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenyl)-N-(hydrazinylmethyl)ethanamine is sourced from PubChem (CID 115261083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).