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

C11H19N — CID 155380943

IUPACN-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine
SMILESCC1C=CC=C(CNC(C)C)C1
InChIInChI=1S/C11H19N/c1-9(2)12-8-11-6-4-5-10(3)7-11/h4-6,9-10,12H,7-8H2,1-3H3
InChIKeyGPZAVAUGEALZCY-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.51
Rot. Bonds3

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

N-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine (PubChem CID 155380943) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine
PubChem CID155380943
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine
SMILESCC1C=CC=C(CNC(C)C)C1
InChIInChI=1S/C11H19N/c1-9(2)12-8-11-6-4-5-10(3)7-11/h4-6,9-10,12H,7-8H2,1-3H3
InChIKeyGPZAVAUGEALZCY-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-5-methylcyclohexa-1,3-diene
CID 123887743
N-(cyclohepten-1-ylmethyl)propan-2-amine
CID 106653004
N-(3H-pyrrol-4-ylmethyl)propan-2-amine
CID 158053856
1,1,1,3,3,3-hexafluoro-2-[5-methyl-4-[(propan-2-ylamino)methyl]cyclohexa-1,3-dien-1-yl]propan-2-ol
CID 162592682
3-ethyl-3-[(5-methylcyclohexa-1,3-dien-1-yl)methoxymethyl]oxetane
CID 143809165
5-methylcyclohexa-1,3-diene-1-carbaldehyde
CID 71400816
N-(5-bromo-3-pyridinyl)-2-(5-methylcyclohexa-1,3-dien-1-yl)acetamide
CID 155172186
N-[(4-cyclopropylphenyl)methyl]propan-2-amine
CID 62491335
5-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide
CID 143494937
N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]propan-2-amine
CID 81251479
N-[[4-(4-methylazepan-1-yl)phenyl]methyl]propan-2-amine
CID 63624296
1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole-2,5-dione
CID 66669295

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine (CID 155380943) is N-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine is CC1C=CC=C(CNC(C)C)C1.
What is the InChIKey of N-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine?
The InChIKey is GPZAVAUGEALZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-9(2)12-8-11-6-4-5-10(3)7-11/h4-6,9-10,12H,7-8H2,1-3H3.
What are the key properties of N-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine?
N-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine has a molecular weight of 165.28 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine is sourced from PubChem (CID 155380943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).