(3S)-N,N-dimethyl-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine

C14H24N2 — CID 143564801

IUPAC(3S)-N,N-dimethyl-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine
SMILESCC1C=CC=C(CN2CC[C@H](N(C)C)C2)C1
InChIInChI=1S/C14H24N2/c1-12-5-4-6-13(9-12)10-16-8-7-14(11-16)15(2)3/h4-6,12,14H,7-11H2,1-3H3/t12?,14-/m0/s1
InChIKeyQGSJKGWWEIXYAT-PYMCNQPYSA-N
MW220.36 g/mol
LogP2.14
Rot. Bonds3

About (3S)-N,N-dimethyl-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine

(3S)-N,N-dimethyl-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine (PubChem CID 143564801) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine
PubChem CID143564801
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(3S)-N,N-dimethyl-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine
SMILESCC1C=CC=C(CN2CC[C@H](N(C)C)C2)C1
InChIInChI=1S/C14H24N2/c1-12-5-4-6-13(9-12)10-16-8-7-14(11-16)15(2)3/h4-6,12,14H,7-11H2,1-3H3/t12?,14-/m0/s1
InChIKeyQGSJKGWWEIXYAT-PYMCNQPYSA-N
XLogP2.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-N,N-dimethyl-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine (CID 143564801) is (3S)-N,N-dimethyl-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N,N-dimethyl-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-N,N-dimethyl-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine is CC1C=CC=C(CN2CC[C@H](N(C)C)C2)C1.
What is the InChIKey of (3S)-N,N-dimethyl-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine?
The InChIKey is QGSJKGWWEIXYAT-PYMCNQPYSA-N. The full InChI is InChI=1S/C14H24N2/c1-12-5-4-6-13(9-12)10-16-8-7-14(11-16)15(2)3/h4-6,12,14H,7-11H2,1-3H3/t12?,14-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine?
(3S)-N,N-dimethyl-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine has a molecular weight of 220.36 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 143564801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).