ethane;methane;1-methyl-N-[(3-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine;molecular hydrogen

C16H34N2 — CID 142067762

IUPACethane;methane;1-methyl-N-[(3-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine;molecular hydrogen
SMILESC.CC.CC1=CCCC(CNC2CCN(C)C2)=C1.[H][H]
InChIInChI=1S/C13H22N2.C2H6.CH4.H2/c1-11-4-3-5-12(8-11)9-14-13-6-7-15(2)10-13;1-2;;/h4,8,13-14H,3,5-7,9-10H2,1-2H3;1-2H3;1H4;1H
InChIKeyVOHGWUQPBHPVKC-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.85
Rot. Bonds3

About ethane;methane;1-methyl-N-[(3-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine;molecular hydrogen

ethane;methane;1-methyl-N-[(3-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine;molecular hydrogen (PubChem CID 142067762) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is ethane;methane;1-methyl-N-[(3-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine;molecular hydrogen.

Molecular Properties

Compound Nameethane;methane;1-methyl-N-[(3-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine;molecular hydrogen
PubChem CID142067762
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Nameethane;methane;1-methyl-N-[(3-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine;molecular hydrogen
SMILESC.CC.CC1=CCCC(CNC2CCN(C)C2)=C1.[H][H]
InChIInChI=1S/C13H22N2.C2H6.CH4.H2/c1-11-4-3-5-12(8-11)9-14-13-6-7-15(2)10-13;1-2;;/h4,8,13-14H,3,5-7,9-10H2,1-2H3;1-2H3;1H4;1H
InChIKeyVOHGWUQPBHPVKC-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;1-methyl-N-[(3-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine;molecular hydrogen?
The IUPAC name of ethane;methane;1-methyl-N-[(3-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine;molecular hydrogen (CID 142067762) is ethane;methane;1-methyl-N-[(3-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine;molecular hydrogen.
What is the SMILES notation for ethane;methane;1-methyl-N-[(3-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine;molecular hydrogen?
The canonical SMILES for ethane;methane;1-methyl-N-[(3-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine;molecular hydrogen is C.CC.CC1=CCCC(CNC2CCN(C)C2)=C1.[H][H].
What is the InChIKey of ethane;methane;1-methyl-N-[(3-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine;molecular hydrogen?
The InChIKey is VOHGWUQPBHPVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.C2H6.CH4.H2/c1-11-4-3-5-12(8-11)9-14-13-6-7-15(2)10-13;1-2;;/h4,8,13-14H,3,5-7,9-10H2,1-2H3;1-2H3;1H4;1H.
What are the key properties of ethane;methane;1-methyl-N-[(3-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine;molecular hydrogen?
ethane;methane;1-methyl-N-[(3-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine;molecular hydrogen has a molecular weight of 254.46 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1-methyl-N-[(3-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine;molecular hydrogen is sourced from PubChem (CID 142067762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).