N-(hydrazinylmethyl)-2-methyl-2-[4-(2-methylpropyl)phenyl]propan-1-amine

C15H27N3 — CID 115261410

IUPACN-(hydrazinylmethyl)-2-methyl-2-[4-(2-methylpropyl)phenyl]propan-1-amine
SMILESCC(C)Cc1ccc(C(C)(C)CNCNN)cc1
InChIInChI=1S/C15H27N3/c1-12(2)9-13-5-7-14(8-6-13)15(3,4)10-17-11-18-16/h5-8,12,17-18H,9-11,16H2,1-4H3
InChIKeyLWQIRMDHPFJJNY-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.17
Rot. Bonds7

About N-(hydrazinylmethyl)-2-methyl-2-[4-(2-methylpropyl)phenyl]propan-1-amine

N-(hydrazinylmethyl)-2-methyl-2-[4-(2-methylpropyl)phenyl]propan-1-amine (PubChem CID 115261410) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-(hydrazinylmethyl)-2-methyl-2-[4-(2-methylpropyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-(hydrazinylmethyl)-2-methyl-2-[4-(2-methylpropyl)phenyl]propan-1-amine
PubChem CID115261410
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-(hydrazinylmethyl)-2-methyl-2-[4-(2-methylpropyl)phenyl]propan-1-amine
SMILESCC(C)Cc1ccc(C(C)(C)CNCNN)cc1
InChIInChI=1S/C15H27N3/c1-12(2)9-13-5-7-14(8-6-13)15(3,4)10-17-11-18-16/h5-8,12,17-18H,9-11,16H2,1-4H3
InChIKeyLWQIRMDHPFJJNY-UHFFFAOYSA-N
XLogP2.17
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.17
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-[[2-methyl-2-[4-(2-methylpropyl)phenyl]propyl]amino]ethanol
CID 115216500
N-(hydrazinylmethyl)-2-methyl-2-(4-propan-2-ylsulfanylphenyl)propan-1-amine
CID 115261466
N-methyl-2-[4-(2-methylpropyl)phenyl]propan-2-amine
CID 82283210
1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene
CID 143199593
1-(tert-butylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 62773408
3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid
CID 79019407
4-[2-[4-(2-methylpropyl)phenyl]propan-2-yl]pyridine
CID 154718340
1,1-difluoro-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 80604999
2-(2,3-dihydro-1H-inden-5-yl)-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261409
2-(1,3-benzodioxol-5-yl)-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261413
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261402
methyl 3-hydroxy-3-[4-(2-methylpropyl)phenyl]-2-propan-2-ylbutanoate
CID 62395639

Frequently Asked Questions

What is the IUPAC name of N-(hydrazinylmethyl)-2-methyl-2-[4-(2-methylpropyl)phenyl]propan-1-amine?
The IUPAC name of N-(hydrazinylmethyl)-2-methyl-2-[4-(2-methylpropyl)phenyl]propan-1-amine (CID 115261410) is N-(hydrazinylmethyl)-2-methyl-2-[4-(2-methylpropyl)phenyl]propan-1-amine.
What is the SMILES notation for N-(hydrazinylmethyl)-2-methyl-2-[4-(2-methylpropyl)phenyl]propan-1-amine?
The canonical SMILES for N-(hydrazinylmethyl)-2-methyl-2-[4-(2-methylpropyl)phenyl]propan-1-amine is CC(C)Cc1ccc(C(C)(C)CNCNN)cc1.
What is the InChIKey of N-(hydrazinylmethyl)-2-methyl-2-[4-(2-methylpropyl)phenyl]propan-1-amine?
The InChIKey is LWQIRMDHPFJJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12(2)9-13-5-7-14(8-6-13)15(3,4)10-17-11-18-16/h5-8,12,17-18H,9-11,16H2,1-4H3.
What are the key properties of N-(hydrazinylmethyl)-2-methyl-2-[4-(2-methylpropyl)phenyl]propan-1-amine?
N-(hydrazinylmethyl)-2-methyl-2-[4-(2-methylpropyl)phenyl]propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydrazinylmethyl)-2-methyl-2-[4-(2-methylpropyl)phenyl]propan-1-amine is sourced from PubChem (CID 115261410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).