N-methyl-1-(4-propylcyclohexa-1,5-dien-1-yl)ethanamine

C12H21N — CID 66792534

IUPACN-methyl-1-(4-propylcyclohexa-1,5-dien-1-yl)ethanamine
SMILESCCCC1C=CC(C(C)NC)=CC1
InChIInChI=1S/C12H21N/c1-4-5-11-6-8-12(9-7-11)10(2)13-3/h6,8-11,13H,4-5,7H2,1-3H3
InChIKeyVTGQNSSWZTWDNN-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.90
Rot. Bonds4

About N-methyl-1-(4-propylcyclohexa-1,5-dien-1-yl)ethanamine

N-methyl-1-(4-propylcyclohexa-1,5-dien-1-yl)ethanamine (PubChem CID 66792534) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-methyl-1-(4-propylcyclohexa-1,5-dien-1-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-propylcyclohexa-1,5-dien-1-yl)ethanamine
PubChem CID66792534
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-methyl-1-(4-propylcyclohexa-1,5-dien-1-yl)ethanamine
SMILESCCCC1C=CC(C(C)NC)=CC1
InChIInChI=1S/C12H21N/c1-4-5-11-6-8-12(9-7-11)10(2)13-3/h6,8-11,13H,4-5,7H2,1-3H3
InChIKeyVTGQNSSWZTWDNN-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propylcyclohexa-1,5-dien-1-yl)ethanamine?
The IUPAC name of N-methyl-1-(4-propylcyclohexa-1,5-dien-1-yl)ethanamine (CID 66792534) is N-methyl-1-(4-propylcyclohexa-1,5-dien-1-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(4-propylcyclohexa-1,5-dien-1-yl)ethanamine?
The canonical SMILES for N-methyl-1-(4-propylcyclohexa-1,5-dien-1-yl)ethanamine is CCCC1C=CC(C(C)NC)=CC1.
What is the InChIKey of N-methyl-1-(4-propylcyclohexa-1,5-dien-1-yl)ethanamine?
The InChIKey is VTGQNSSWZTWDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-4-5-11-6-8-12(9-7-11)10(2)13-3/h6,8-11,13H,4-5,7H2,1-3H3.
What are the key properties of N-methyl-1-(4-propylcyclohexa-1,5-dien-1-yl)ethanamine?
N-methyl-1-(4-propylcyclohexa-1,5-dien-1-yl)ethanamine has a molecular weight of 179.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propylcyclohexa-1,5-dien-1-yl)ethanamine is sourced from PubChem (CID 66792534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).