N-ethyl-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)pentan-1-amine

C13H25N — CID 142446187

IUPACN-ethyl-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)pentan-1-amine
SMILESC=C(C)C(=C)N(CC)CC(C)CCC
InChIInChI=1S/C13H25N/c1-7-9-12(5)10-14(8-2)13(6)11(3)4/h12H,3,6-10H2,1-2,4-5H3
InChIKeyNIVSCOBLROPWKS-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.83
Rot. Bonds7

About N-ethyl-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)pentan-1-amine

N-ethyl-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)pentan-1-amine (PubChem CID 142446187) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)pentan-1-amine
PubChem CID142446187
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-ethyl-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)pentan-1-amine
SMILESC=C(C)C(=C)N(CC)CC(C)CCC
InChIInChI=1S/C13H25N/c1-7-9-12(5)10-14(8-2)13(6)11(3)4/h12H,3,6-10H2,1-2,4-5H3
InChIKeyNIVSCOBLROPWKS-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.83
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 N-ethyl-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)pentan-1-amine?
The IUPAC name of N-ethyl-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)pentan-1-amine (CID 142446187) is N-ethyl-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)pentan-1-amine is C=C(C)C(=C)N(CC)CC(C)CCC.
What is the InChIKey of N-ethyl-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)pentan-1-amine?
The InChIKey is NIVSCOBLROPWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-7-9-12(5)10-14(8-2)13(6)11(3)4/h12H,3,6-10H2,1-2,4-5H3.
What are the key properties of N-ethyl-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)pentan-1-amine?
N-ethyl-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)pentan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)pentan-1-amine is sourced from PubChem (CID 142446187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).