ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hept-3-en-3-amine

C19H38N2 — CID 142002236

IUPACethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hept-3-en-3-amine
SMILESC/C=C\N(CC1CCCN(C)C1)/C(=C\CCC)CC.CC
InChIInChI=1S/C17H32N2.C2H6/c1-5-8-11-17(7-3)19(12-6-2)15-16-10-9-13-18(4)14-16;1-2/h6,11-12,16H,5,7-10,13-15H2,1-4H3;1-2H3/b12-6-,17-11-;
InChIKeyDZYMNISXHKMVNO-NQDSDSAHSA-N
MW294.53 g/mol
LogP5.28
Rot. Bonds7

About ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hept-3-en-3-amine

ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hept-3-en-3-amine (PubChem CID 142002236) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hept-3-en-3-amine.

Molecular Properties

Compound Nameethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hept-3-en-3-amine
PubChem CID142002236
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Nameethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hept-3-en-3-amine
SMILESC/C=C\N(CC1CCCN(C)C1)/C(=C\CCC)CC.CC
InChIInChI=1S/C17H32N2.C2H6/c1-5-8-11-17(7-3)19(12-6-2)15-16-10-9-13-18(4)14-16;1-2/h6,11-12,16H,5,7-10,13-15H2,1-4H3;1-2H3/b12-6-,17-11-;
InChIKeyDZYMNISXHKMVNO-NQDSDSAHSA-N
XLogP5.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.53
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hept-3-en-3-amine?
The IUPAC name of ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hept-3-en-3-amine (CID 142002236) is ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hept-3-en-3-amine.
What is the SMILES notation for ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hept-3-en-3-amine?
The canonical SMILES for ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hept-3-en-3-amine is C/C=C\N(CC1CCCN(C)C1)/C(=C\CCC)CC.CC.
What is the InChIKey of ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hept-3-en-3-amine?
The InChIKey is DZYMNISXHKMVNO-NQDSDSAHSA-N. The full InChI is InChI=1S/C17H32N2.C2H6/c1-5-8-11-17(7-3)19(12-6-2)15-16-10-9-13-18(4)14-16;1-2/h6,11-12,16H,5,7-10,13-15H2,1-4H3;1-2H3/b12-6-,17-11-;.
What are the key properties of ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hept-3-en-3-amine?
ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hept-3-en-3-amine has a molecular weight of 294.53 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hept-3-en-3-amine is sourced from PubChem (CID 142002236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).