(3Z)-N,5-dimethyl-N-(oxolan-2-ylmethyl)hexa-1,3,5-trien-2-amine

C13H21NO — CID 153334062

IUPAC(3Z)-N,5-dimethyl-N-(oxolan-2-ylmethyl)hexa-1,3,5-trien-2-amine
SMILESC=C(C)/C=C\C(=C)N(C)CC1CCCO1
InChIInChI=1S/C13H21NO/c1-11(2)7-8-12(3)14(4)10-13-6-5-9-15-13/h7-8,13H,1,3,5-6,9-10H2,2,4H3/b8-7-
InChIKeyVKCYLGXWDSENQU-FPLPWBNLSA-N
MW207.32 g/mol
LogP2.74
Rot. Bonds5

About (3Z)-N,5-dimethyl-N-(oxolan-2-ylmethyl)hexa-1,3,5-trien-2-amine

(3Z)-N,5-dimethyl-N-(oxolan-2-ylmethyl)hexa-1,3,5-trien-2-amine (PubChem CID 153334062) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (3Z)-N,5-dimethyl-N-(oxolan-2-ylmethyl)hexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-N,5-dimethyl-N-(oxolan-2-ylmethyl)hexa-1,3,5-trien-2-amine
PubChem CID153334062
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(3Z)-N,5-dimethyl-N-(oxolan-2-ylmethyl)hexa-1,3,5-trien-2-amine
SMILESC=C(C)/C=C\C(=C)N(C)CC1CCCO1
InChIInChI=1S/C13H21NO/c1-11(2)7-8-12(3)14(4)10-13-6-5-9-15-13/h7-8,13H,1,3,5-6,9-10H2,2,4H3/b8-7-
InChIKeyVKCYLGXWDSENQU-FPLPWBNLSA-N
XLogP2.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.74
H-Bond Donors ≤ 50
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)-N,5-dimethyl-N-(oxolan-2-ylmethyl)hexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-N,5-dimethyl-N-(oxolan-2-ylmethyl)hexa-1,3,5-trien-2-amine (CID 153334062) is (3Z)-N,5-dimethyl-N-(oxolan-2-ylmethyl)hexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-N,5-dimethyl-N-(oxolan-2-ylmethyl)hexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-N,5-dimethyl-N-(oxolan-2-ylmethyl)hexa-1,3,5-trien-2-amine is C=C(C)/C=C\C(=C)N(C)CC1CCCO1.
What is the InChIKey of (3Z)-N,5-dimethyl-N-(oxolan-2-ylmethyl)hexa-1,3,5-trien-2-amine?
The InChIKey is VKCYLGXWDSENQU-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(2)7-8-12(3)14(4)10-13-6-5-9-15-13/h7-8,13H,1,3,5-6,9-10H2,2,4H3/b8-7-.
What are the key properties of (3Z)-N,5-dimethyl-N-(oxolan-2-ylmethyl)hexa-1,3,5-trien-2-amine?
(3Z)-N,5-dimethyl-N-(oxolan-2-ylmethyl)hexa-1,3,5-trien-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,5-dimethyl-N-(oxolan-2-ylmethyl)hexa-1,3,5-trien-2-amine is sourced from PubChem (CID 153334062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).