1-(2-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine

C11H18N2 — CID 144986128

IUPAC1-(2-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine
SMILESCC1=C(N2CCC(N)C2)CCC=C1
InChIInChI=1S/C11H18N2/c1-9-4-2-3-5-11(9)13-7-6-10(12)8-13/h2,4,10H,3,5-8,12H2,1H3
InChIKeyDPRVWMFVGLPGRP-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.64
Rot. Bonds1

About 1-(2-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine

1-(2-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine (PubChem CID 144986128) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-(2-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine
PubChem CID144986128
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-(2-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine
SMILESCC1=C(N2CCC(N)C2)CCC=C1
InChIInChI=1S/C11H18N2/c1-9-4-2-3-5-11(9)13-7-6-10(12)8-13/h2,4,10H,3,5-8,12H2,1H3
InChIKeyDPRVWMFVGLPGRP-UHFFFAOYSA-N
XLogP1.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(2-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine (CID 144986128) is 1-(2-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(2-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(2-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine is CC1=C(N2CCC(N)C2)CCC=C1.
What is the InChIKey of 1-(2-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine?
The InChIKey is DPRVWMFVGLPGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-4-2-3-5-11(9)13-7-6-10(12)8-13/h2,4,10H,3,5-8,12H2,1H3.
What are the key properties of 1-(2-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine?
1-(2-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine has a molecular weight of 178.28 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine is sourced from PubChem (CID 144986128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).