N'-[cyclopropyl-(4-methoxyphenyl)methyl]butane-1,4-diamine

C15H24N2O — CID 60894909

IUPACN'-[cyclopropyl-(4-methoxyphenyl)methyl]butane-1,4-diamine
SMILESCOc1ccc(C(NCCCCN)C2CC2)cc1
InChIInChI=1S/C15H24N2O/c1-18-14-8-6-13(7-9-14)15(12-4-5-12)17-11-3-2-10-16/h6-9,12,15,17H,2-5,10-11,16H2,1H3
InChIKeyKKVNRKSAVUAXGX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.47
Rot. Bonds8

About N'-[cyclopropyl-(4-methoxyphenyl)methyl]butane-1,4-diamine

N'-[cyclopropyl-(4-methoxyphenyl)methyl]butane-1,4-diamine (PubChem CID 60894909) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N'-[cyclopropyl-(4-methoxyphenyl)methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[cyclopropyl-(4-methoxyphenyl)methyl]butane-1,4-diamine
PubChem CID60894909
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN'-[cyclopropyl-(4-methoxyphenyl)methyl]butane-1,4-diamine
SMILESCOc1ccc(C(NCCCCN)C2CC2)cc1
InChIInChI=1S/C15H24N2O/c1-18-14-8-6-13(7-9-14)15(12-4-5-12)17-11-3-2-10-16/h6-9,12,15,17H,2-5,10-11,16H2,1H3
InChIKeyKKVNRKSAVUAXGX-UHFFFAOYSA-N
XLogP2.47
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol
CID 103714492
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
4-[3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propoxy]benzonitrile
CID 112840952
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43768001
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 61040330
3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-methylpropanenitrile
CID 60713387
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-ethoxypropan-1-amine
CID 115898527
N-[cyclohexyl(phenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 67118786
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(1-methyl-1,2,4-triazol-3-yl)ethanamine
CID 80684230

Frequently Asked Questions

What is the IUPAC name of N'-[cyclopropyl-(4-methoxyphenyl)methyl]butane-1,4-diamine?
The IUPAC name of N'-[cyclopropyl-(4-methoxyphenyl)methyl]butane-1,4-diamine (CID 60894909) is N'-[cyclopropyl-(4-methoxyphenyl)methyl]butane-1,4-diamine.
What is the SMILES notation for N'-[cyclopropyl-(4-methoxyphenyl)methyl]butane-1,4-diamine?
The canonical SMILES for N'-[cyclopropyl-(4-methoxyphenyl)methyl]butane-1,4-diamine is COc1ccc(C(NCCCCN)C2CC2)cc1.
What is the InChIKey of N'-[cyclopropyl-(4-methoxyphenyl)methyl]butane-1,4-diamine?
The InChIKey is KKVNRKSAVUAXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-18-14-8-6-13(7-9-14)15(12-4-5-12)17-11-3-2-10-16/h6-9,12,15,17H,2-5,10-11,16H2,1H3.
What are the key properties of N'-[cyclopropyl-(4-methoxyphenyl)methyl]butane-1,4-diamine?
N'-[cyclopropyl-(4-methoxyphenyl)methyl]butane-1,4-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[cyclopropyl-(4-methoxyphenyl)methyl]butane-1,4-diamine is sourced from PubChem (CID 60894909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).