ethane;(Z)-N-[(Z)-pent-2-en-3-yl]hept-3-en-4-amine

C16H35N — CID 142399712

IUPACethane;(Z)-N-[(Z)-pent-2-en-3-yl]hept-3-en-4-amine
SMILESC/C=C(/CC)N/C(=C\CC)CCC.CC.CC
InChIInChI=1S/C12H23N.2C2H6/c1-5-9-12(10-6-2)13-11(7-3)8-4;2*1-2/h7,9,13H,5-6,8,10H2,1-4H3;2*1-2H3/b11-7-,12-9-;;
InChIKeyMGWRSMVTGCQFLS-KXABHZCVSA-N
MW241.46 g/mol
LogP6.04
Rot. Bonds6

About ethane;(Z)-N-[(Z)-pent-2-en-3-yl]hept-3-en-4-amine

ethane;(Z)-N-[(Z)-pent-2-en-3-yl]hept-3-en-4-amine (PubChem CID 142399712) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is ethane;(Z)-N-[(Z)-pent-2-en-3-yl]hept-3-en-4-amine.

Molecular Properties

Compound Nameethane;(Z)-N-[(Z)-pent-2-en-3-yl]hept-3-en-4-amine
PubChem CID142399712
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Nameethane;(Z)-N-[(Z)-pent-2-en-3-yl]hept-3-en-4-amine
SMILESC/C=C(/CC)N/C(=C\CC)CCC.CC.CC
InChIInChI=1S/C12H23N.2C2H6/c1-5-9-12(10-6-2)13-11(7-3)8-4;2*1-2/h7,9,13H,5-6,8,10H2,1-4H3;2*1-2H3/b11-7-,12-9-;;
InChIKeyMGWRSMVTGCQFLS-KXABHZCVSA-N
XLogP6.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-[(Z)-pent-2-en-3-yl]hept-3-en-4-amine?
The IUPAC name of ethane;(Z)-N-[(Z)-pent-2-en-3-yl]hept-3-en-4-amine (CID 142399712) is ethane;(Z)-N-[(Z)-pent-2-en-3-yl]hept-3-en-4-amine.
What is the SMILES notation for ethane;(Z)-N-[(Z)-pent-2-en-3-yl]hept-3-en-4-amine?
The canonical SMILES for ethane;(Z)-N-[(Z)-pent-2-en-3-yl]hept-3-en-4-amine is C/C=C(/CC)N/C(=C\CC)CCC.CC.CC.
What is the InChIKey of ethane;(Z)-N-[(Z)-pent-2-en-3-yl]hept-3-en-4-amine?
The InChIKey is MGWRSMVTGCQFLS-KXABHZCVSA-N. The full InChI is InChI=1S/C12H23N.2C2H6/c1-5-9-12(10-6-2)13-11(7-3)8-4;2*1-2/h7,9,13H,5-6,8,10H2,1-4H3;2*1-2H3/b11-7-,12-9-;;.
What are the key properties of ethane;(Z)-N-[(Z)-pent-2-en-3-yl]hept-3-en-4-amine?
ethane;(Z)-N-[(Z)-pent-2-en-3-yl]hept-3-en-4-amine has a molecular weight of 241.46 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-[(Z)-pent-2-en-3-yl]hept-3-en-4-amine is sourced from PubChem (CID 142399712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).