N-[[4-(aminomethyl)-3-methylcyclohexa-1,5-dien-1-yl]methyl]-2-methylpropan-1-amine

C13H24N2 — CID 123675446

IUPACN-[[4-(aminomethyl)-3-methylcyclohexa-1,5-dien-1-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1=CC(C)C(CN)C=C1
InChIInChI=1S/C13H24N2/c1-10(2)8-15-9-12-4-5-13(7-14)11(3)6-12/h4-6,10-11,13,15H,7-9,14H2,1-3H3
InChIKeyIONMFFHLSKBURB-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.94
Rot. Bonds5

About N-[[4-(aminomethyl)-3-methylcyclohexa-1,5-dien-1-yl]methyl]-2-methylpropan-1-amine

N-[[4-(aminomethyl)-3-methylcyclohexa-1,5-dien-1-yl]methyl]-2-methylpropan-1-amine (PubChem CID 123675446) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-3-methylcyclohexa-1,5-dien-1-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-3-methylcyclohexa-1,5-dien-1-yl]methyl]-2-methylpropan-1-amine
PubChem CID123675446
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-[[4-(aminomethyl)-3-methylcyclohexa-1,5-dien-1-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1=CC(C)C(CN)C=C1
InChIInChI=1S/C13H24N2/c1-10(2)8-15-9-12-4-5-13(7-14)11(3)6-12/h4-6,10-11,13,15H,7-9,14H2,1-3H3
InChIKeyIONMFFHLSKBURB-UHFFFAOYSA-N
XLogP1.94
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-3-methylcyclohexa-1,5-dien-1-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(aminomethyl)-3-methylcyclohexa-1,5-dien-1-yl]methyl]-2-methylpropan-1-amine (CID 123675446) is N-[[4-(aminomethyl)-3-methylcyclohexa-1,5-dien-1-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)-3-methylcyclohexa-1,5-dien-1-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)-3-methylcyclohexa-1,5-dien-1-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1=CC(C)C(CN)C=C1.
What is the InChIKey of N-[[4-(aminomethyl)-3-methylcyclohexa-1,5-dien-1-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is IONMFFHLSKBURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-10(2)8-15-9-12-4-5-13(7-14)11(3)6-12/h4-6,10-11,13,15H,7-9,14H2,1-3H3.
What are the key properties of N-[[4-(aminomethyl)-3-methylcyclohexa-1,5-dien-1-yl]methyl]-2-methylpropan-1-amine?
N-[[4-(aminomethyl)-3-methylcyclohexa-1,5-dien-1-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 208.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-3-methylcyclohexa-1,5-dien-1-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 123675446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).