(Z)-N,3-dimethyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-4-methylidenehept-5-en-1-amine;propane

C20H35N — CID 142206742

IUPAC(Z)-N,3-dimethyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-4-methylidenehept-5-en-1-amine;propane
SMILESC=C(C)/C=C\C(=C)N(C)CCC(C)C(=C)/C=C\C.CCC
InChIInChI=1S/C17H27N.C3H8/c1-8-9-15(4)16(5)12-13-18(7)17(6)11-10-14(2)3;1-3-2/h8-11,16H,2,4,6,12-13H2,1,3,5,7H3;3H2,1-2H3/b9-8-,11-10-;
InChIKeyWMQLDCRXFLVCKP-ILEZSDCVSA-N
MW289.51 g/mol
LogP6.14
Rot. Bonds8

About (Z)-N,3-dimethyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-4-methylidenehept-5-en-1-amine;propane

(Z)-N,3-dimethyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-4-methylidenehept-5-en-1-amine;propane (PubChem CID 142206742) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is (Z)-N,3-dimethyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-4-methylidenehept-5-en-1-amine;propane.

Molecular Properties

Compound Name(Z)-N,3-dimethyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-4-methylidenehept-5-en-1-amine;propane
PubChem CID142206742
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name(Z)-N,3-dimethyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-4-methylidenehept-5-en-1-amine;propane
SMILESC=C(C)/C=C\C(=C)N(C)CCC(C)C(=C)/C=C\C.CCC
InChIInChI=1S/C17H27N.C3H8/c1-8-9-15(4)16(5)12-13-18(7)17(6)11-10-14(2)3;1-3-2/h8-11,16H,2,4,6,12-13H2,1,3,5,7H3;3H2,1-2H3/b9-8-,11-10-;
InChIKeyWMQLDCRXFLVCKP-ILEZSDCVSA-N
XLogP6.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,3-dimethyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-4-methylidenehept-5-en-1-amine;propane?
The IUPAC name of (Z)-N,3-dimethyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-4-methylidenehept-5-en-1-amine;propane (CID 142206742) is (Z)-N,3-dimethyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-4-methylidenehept-5-en-1-amine;propane.
What is the SMILES notation for (Z)-N,3-dimethyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-4-methylidenehept-5-en-1-amine;propane?
The canonical SMILES for (Z)-N,3-dimethyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-4-methylidenehept-5-en-1-amine;propane is C=C(C)/C=C\C(=C)N(C)CCC(C)C(=C)/C=C\C.CCC.
What is the InChIKey of (Z)-N,3-dimethyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-4-methylidenehept-5-en-1-amine;propane?
The InChIKey is WMQLDCRXFLVCKP-ILEZSDCVSA-N. The full InChI is InChI=1S/C17H27N.C3H8/c1-8-9-15(4)16(5)12-13-18(7)17(6)11-10-14(2)3;1-3-2/h8-11,16H,2,4,6,12-13H2,1,3,5,7H3;3H2,1-2H3/b9-8-,11-10-;.
What are the key properties of (Z)-N,3-dimethyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-4-methylidenehept-5-en-1-amine;propane?
(Z)-N,3-dimethyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-4-methylidenehept-5-en-1-amine;propane has a molecular weight of 289.51 g/mol, XLogP of 6.14, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,3-dimethyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-4-methylidenehept-5-en-1-amine;propane is sourced from PubChem (CID 142206742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).