(3Z,5R)-N,N-dimethyl-5-piperidin-2-ylhepta-1,3-dien-2-amine;ethane

C16H32N2 — CID 144572958

IUPAC(3Z,5R)-N,N-dimethyl-5-piperidin-2-ylhepta-1,3-dien-2-amine;ethane
SMILESC=C(/C=C\C(CC)C1CCCCN1)N(C)C.CC
InChIInChI=1S/C14H26N2.C2H6/c1-5-13(10-9-12(2)16(3)4)14-8-6-7-11-15-14;1-2/h9-10,13-15H,2,5-8,11H2,1,3-4H3;1-2H3/b10-9-;
InChIKeyIZKVUNJTCONOTQ-KVVVOXFISA-N
MW252.45 g/mol
LogP3.81
Rot. Bonds5

About (3Z,5R)-N,N-dimethyl-5-piperidin-2-ylhepta-1,3-dien-2-amine;ethane

(3Z,5R)-N,N-dimethyl-5-piperidin-2-ylhepta-1,3-dien-2-amine;ethane (PubChem CID 144572958) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is (3Z,5R)-N,N-dimethyl-5-piperidin-2-ylhepta-1,3-dien-2-amine;ethane.

Molecular Properties

Compound Name(3Z,5R)-N,N-dimethyl-5-piperidin-2-ylhepta-1,3-dien-2-amine;ethane
PubChem CID144572958
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name(3Z,5R)-N,N-dimethyl-5-piperidin-2-ylhepta-1,3-dien-2-amine;ethane
SMILESC=C(/C=C\C(CC)C1CCCCN1)N(C)C.CC
InChIInChI=1S/C14H26N2.C2H6/c1-5-13(10-9-12(2)16(3)4)14-8-6-7-11-15-14;1-2/h9-10,13-15H,2,5-8,11H2,1,3-4H3;1-2H3/b10-9-;
InChIKeyIZKVUNJTCONOTQ-KVVVOXFISA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5R)-N,N-dimethyl-5-piperidin-2-ylhepta-1,3-dien-2-amine;ethane?
The IUPAC name of (3Z,5R)-N,N-dimethyl-5-piperidin-2-ylhepta-1,3-dien-2-amine;ethane (CID 144572958) is (3Z,5R)-N,N-dimethyl-5-piperidin-2-ylhepta-1,3-dien-2-amine;ethane.
What is the SMILES notation for (3Z,5R)-N,N-dimethyl-5-piperidin-2-ylhepta-1,3-dien-2-amine;ethane?
The canonical SMILES for (3Z,5R)-N,N-dimethyl-5-piperidin-2-ylhepta-1,3-dien-2-amine;ethane is C=C(/C=C\C(CC)C1CCCCN1)N(C)C.CC.
What is the InChIKey of (3Z,5R)-N,N-dimethyl-5-piperidin-2-ylhepta-1,3-dien-2-amine;ethane?
The InChIKey is IZKVUNJTCONOTQ-KVVVOXFISA-N. The full InChI is InChI=1S/C14H26N2.C2H6/c1-5-13(10-9-12(2)16(3)4)14-8-6-7-11-15-14;1-2/h9-10,13-15H,2,5-8,11H2,1,3-4H3;1-2H3/b10-9-;.
What are the key properties of (3Z,5R)-N,N-dimethyl-5-piperidin-2-ylhepta-1,3-dien-2-amine;ethane?
(3Z,5R)-N,N-dimethyl-5-piperidin-2-ylhepta-1,3-dien-2-amine;ethane has a molecular weight of 252.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5R)-N,N-dimethyl-5-piperidin-2-ylhepta-1,3-dien-2-amine;ethane is sourced from PubChem (CID 144572958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).