N,N-dimethyl-2-prop-2-enylnona-3,4,8-trien-1-amine

C14H23N — CID 12715945

IUPACN,N-dimethyl-2-prop-2-enylnona-3,4,8-trien-1-amine
SMILESC=CCCC=C=CC(CC=C)CN(C)C
InChIInChI=1S/C14H23N/c1-5-7-8-9-10-12-14(11-6-2)13-15(3)4/h5-6,9,12,14H,1-2,7-8,11,13H2,3-4H3
InChIKeyKBBYICUFUGRAAW-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.42
Rot. Bonds8

About N,N-dimethyl-2-prop-2-enylnona-3,4,8-trien-1-amine

N,N-dimethyl-2-prop-2-enylnona-3,4,8-trien-1-amine (PubChem CID 12715945) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N,N-dimethyl-2-prop-2-enylnona-3,4,8-trien-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-prop-2-enylnona-3,4,8-trien-1-amine
PubChem CID12715945
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN,N-dimethyl-2-prop-2-enylnona-3,4,8-trien-1-amine
SMILESC=CCCC=C=CC(CC=C)CN(C)C
InChIInChI=1S/C14H23N/c1-5-7-8-9-10-12-14(11-6-2)13-15(3)4/h5-6,9,12,14H,1-2,7-8,11,13H2,3-4H3
InChIKeyKBBYICUFUGRAAW-UHFFFAOYSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-prop-2-enylnona-3,4,8-trien-1-amine?
The IUPAC name of N,N-dimethyl-2-prop-2-enylnona-3,4,8-trien-1-amine (CID 12715945) is N,N-dimethyl-2-prop-2-enylnona-3,4,8-trien-1-amine.
What is the SMILES notation for N,N-dimethyl-2-prop-2-enylnona-3,4,8-trien-1-amine?
The canonical SMILES for N,N-dimethyl-2-prop-2-enylnona-3,4,8-trien-1-amine is C=CCCC=C=CC(CC=C)CN(C)C.
What is the InChIKey of N,N-dimethyl-2-prop-2-enylnona-3,4,8-trien-1-amine?
The InChIKey is KBBYICUFUGRAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-5-7-8-9-10-12-14(11-6-2)13-15(3)4/h5-6,9,12,14H,1-2,7-8,11,13H2,3-4H3.
What are the key properties of N,N-dimethyl-2-prop-2-enylnona-3,4,8-trien-1-amine?
N,N-dimethyl-2-prop-2-enylnona-3,4,8-trien-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-prop-2-enylnona-3,4,8-trien-1-amine is sourced from PubChem (CID 12715945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).