ethane;(3R)-N-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine

C14H26N2 — CID 142390414

IUPACethane;(3R)-N-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine
SMILESCC.CN[C@@H]1CCN(C2=CC=C(C)CC2)C1
InChIInChI=1S/C12H20N2.C2H6/c1-10-3-5-12(6-4-10)14-8-7-11(9-14)13-2;1-2/h3,5,11,13H,4,6-9H2,1-2H3;1-2H3/t11-;/m1./s1
InChIKeyMLAZUDIMMQBRPN-RFVHGSKJSA-N
MW222.38 g/mol
LogP2.93
Rot. Bonds2

About ethane;(3R)-N-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine

ethane;(3R)-N-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine (PubChem CID 142390414) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is ethane;(3R)-N-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Nameethane;(3R)-N-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine
PubChem CID142390414
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Nameethane;(3R)-N-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine
SMILESCC.CN[C@@H]1CCN(C2=CC=C(C)CC2)C1
InChIInChI=1S/C12H20N2.C2H6/c1-10-3-5-12(6-4-10)14-8-7-11(9-14)13-2;1-2/h3,5,11,13H,4,6-9H2,1-2H3;1-2H3/t11-;/m1./s1
InChIKeyMLAZUDIMMQBRPN-RFVHGSKJSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(3R)-N-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine?
The IUPAC name of ethane;(3R)-N-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine (CID 142390414) is ethane;(3R)-N-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine.
What is the SMILES notation for ethane;(3R)-N-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine?
The canonical SMILES for ethane;(3R)-N-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine is CC.CN[C@@H]1CCN(C2=CC=C(C)CC2)C1.
What is the InChIKey of ethane;(3R)-N-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine?
The InChIKey is MLAZUDIMMQBRPN-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H20N2.C2H6/c1-10-3-5-12(6-4-10)14-8-7-11(9-14)13-2;1-2/h3,5,11,13H,4,6-9H2,1-2H3;1-2H3/t11-;/m1./s1.
What are the key properties of ethane;(3R)-N-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine?
ethane;(3R)-N-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine has a molecular weight of 222.38 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3R)-N-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine is sourced from PubChem (CID 142390414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).