N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine

C16H26N2 — CID 115244289

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(CCNCC2(CN)CC2)cc1
InChIInChI=1S/C16H26N2/c1-2-3-14-4-6-15(7-5-14)8-11-18-13-16(12-17)9-10-16/h4-7,18H,2-3,8-13,17H2,1H3
InChIKeyAATOCJIFHUYPDP-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.51
Rot. Bonds8

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine (PubChem CID 115244289) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine
PubChem CID115244289
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(CCNCC2(CN)CC2)cc1
InChIInChI=1S/C16H26N2/c1-2-3-14-4-6-15(7-5-14)8-11-18-13-16(12-17)9-10-16/h4-7,18H,2-3,8-13,17H2,1H3
InChIKeyAATOCJIFHUYPDP-UHFFFAOYSA-N
XLogP2.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 115244276
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 115245897
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3,4-dimethylphenyl)ethanamine
CID 115245892
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 115244272
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 115244287
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-propylphenyl)methanamine
CID 115249403
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-ethoxy-3-fluorophenyl)ethanamine
CID 115244309
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-ethyl-2-methoxyphenyl)ethanamine
CID 115244307
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1-methylbenzimidazol-5-yl)ethanamine
CID 115244333
N-[2-(4-propylphenyl)ethyl]propan-1-amine
CID 62801755
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(3,4-dimethylphenyl)ethanamine
CID 115249546
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2-bromophenyl)ethanamine
CID 115244360

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine (CID 115244289) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine is CCCc1ccc(CCNCC2(CN)CC2)cc1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine?
The InChIKey is AATOCJIFHUYPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-3-14-4-6-15(7-5-14)8-11-18-13-16(12-17)9-10-16/h4-7,18H,2-3,8-13,17H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine has a molecular weight of 246.40 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine is sourced from PubChem (CID 115244289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).