N,N-dimethyl-3-[(Z)-3-methyl-2-methylidenepent-3-enoxy]pentan-1-amine

C14H27NO — CID 137428971

IUPACN,N-dimethyl-3-[(Z)-3-methyl-2-methylidenepent-3-enoxy]pentan-1-amine
SMILESC=C(COC(CC)CCN(C)C)/C(C)=C\C
InChIInChI=1S/C14H27NO/c1-7-12(3)13(4)11-16-14(8-2)9-10-15(5)6/h7,14H,4,8-11H2,1-3,5-6H3/b12-7-
InChIKeyUFVKZFPSJVXHQC-GHXNOFRVSA-N
MW225.38 g/mol
LogP3.26
Rot. Bonds8

About N,N-dimethyl-3-[(Z)-3-methyl-2-methylidenepent-3-enoxy]pentan-1-amine

N,N-dimethyl-3-[(Z)-3-methyl-2-methylidenepent-3-enoxy]pentan-1-amine (PubChem CID 137428971) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N,N-dimethyl-3-[(Z)-3-methyl-2-methylidenepent-3-enoxy]pentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(Z)-3-methyl-2-methylidenepent-3-enoxy]pentan-1-amine
PubChem CID137428971
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN,N-dimethyl-3-[(Z)-3-methyl-2-methylidenepent-3-enoxy]pentan-1-amine
SMILESC=C(COC(CC)CCN(C)C)/C(C)=C\C
InChIInChI=1S/C14H27NO/c1-7-12(3)13(4)11-16-14(8-2)9-10-15(5)6/h7,14H,4,8-11H2,1-3,5-6H3/b12-7-
InChIKeyUFVKZFPSJVXHQC-GHXNOFRVSA-N
XLogP3.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.26
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 N,N-dimethyl-3-[(Z)-3-methyl-2-methylidenepent-3-enoxy]pentan-1-amine?
The IUPAC name of N,N-dimethyl-3-[(Z)-3-methyl-2-methylidenepent-3-enoxy]pentan-1-amine (CID 137428971) is N,N-dimethyl-3-[(Z)-3-methyl-2-methylidenepent-3-enoxy]pentan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[(Z)-3-methyl-2-methylidenepent-3-enoxy]pentan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[(Z)-3-methyl-2-methylidenepent-3-enoxy]pentan-1-amine is C=C(COC(CC)CCN(C)C)/C(C)=C\C.
What is the InChIKey of N,N-dimethyl-3-[(Z)-3-methyl-2-methylidenepent-3-enoxy]pentan-1-amine?
The InChIKey is UFVKZFPSJVXHQC-GHXNOFRVSA-N. The full InChI is InChI=1S/C14H27NO/c1-7-12(3)13(4)11-16-14(8-2)9-10-15(5)6/h7,14H,4,8-11H2,1-3,5-6H3/b12-7-.
What are the key properties of N,N-dimethyl-3-[(Z)-3-methyl-2-methylidenepent-3-enoxy]pentan-1-amine?
N,N-dimethyl-3-[(Z)-3-methyl-2-methylidenepent-3-enoxy]pentan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(Z)-3-methyl-2-methylidenepent-3-enoxy]pentan-1-amine is sourced from PubChem (CID 137428971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).