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

C12H21N3 — CID 115261061

IUPACN-(hydrazinylmethyl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(CCNCNN)cc1
InChIInChI=1S/C12H21N3/c1-10(2)12-5-3-11(4-6-12)7-8-14-9-15-13/h3-6,10,14-15H,7-9,13H2,1-2H3
InChIKeyGVRIWDFYKHZFTB-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.36
Rot. Bonds6

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

N-(hydrazinylmethyl)-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 115261061) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(hydrazinylmethyl)-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-(hydrazinylmethyl)-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID115261061
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-(hydrazinylmethyl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(CCNCNN)cc1
InChIInChI=1S/C12H21N3/c1-10(2)12-5-3-11(4-6-12)7-8-14-9-15-13/h3-6,10,14-15H,7-9,13H2,1-2H3
InChIKeyGVRIWDFYKHZFTB-UHFFFAOYSA-N
XLogP1.36
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.36
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

2-(4-butan-2-ylphenyl)-N-(hydrazinylmethyl)ethanamine
CID 115261083
2-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]propane-1,3-diamine
CID 115198696
2-[2-(4-propan-2-ylphenyl)ethylamino]acetamide
CID 115260058
1-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-one
CID 115234952
4-[[2-(4-propan-2-ylphenyl)ethylamino]methyl]benzoic acid
CID 122030006
2,2-dimethyl-4-[2-(4-propan-2-ylphenyl)ethylamino]butanoic acid
CID 122127310
(2R)-4-(4-propan-2-ylphenyl)butan-2-amine
CID 40999647
2-(4-cyclohexylphenyl)-N-(hydrazinylmethyl)ethanamine
CID 115261089
(2S)-2-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
CID 119322585
N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine
CID 115226785
4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
CID 115212458
2-[2-(4-fluorophenyl)ethylamino]-1-(4-propan-2-ylphenyl)ethanone
CID 82101375

Frequently Asked Questions

What is the IUPAC name of N-(hydrazinylmethyl)-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of N-(hydrazinylmethyl)-2-(4-propan-2-ylphenyl)ethanamine (CID 115261061) is N-(hydrazinylmethyl)-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N-(hydrazinylmethyl)-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N-(hydrazinylmethyl)-2-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(CCNCNN)cc1.
What is the InChIKey of N-(hydrazinylmethyl)-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is GVRIWDFYKHZFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)12-5-3-11(4-6-12)7-8-14-9-15-13/h3-6,10,14-15H,7-9,13H2,1-2H3.
What are the key properties of N-(hydrazinylmethyl)-2-(4-propan-2-ylphenyl)ethanamine?
N-(hydrazinylmethyl)-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 207.32 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydrazinylmethyl)-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 115261061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).