N-(2-methylpropoxy)pent-1-en-1-amine

C9H19NO — CID 57035049

IUPACN-(2-methylpropoxy)pent-1-en-1-amine
SMILESCCCC=CNOCC(C)C
InChIInChI=1S/C9H19NO/c1-4-5-6-7-10-11-8-9(2)3/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyOAXHQYJKWNWGDH-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.48
Rot. Bonds6

About N-(2-methylpropoxy)pent-1-en-1-amine

N-(2-methylpropoxy)pent-1-en-1-amine (PubChem CID 57035049) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-(2-methylpropoxy)pent-1-en-1-amine.

Molecular Properties

Compound NameN-(2-methylpropoxy)pent-1-en-1-amine
PubChem CID57035049
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-(2-methylpropoxy)pent-1-en-1-amine
SMILESCCCC=CNOCC(C)C
InChIInChI=1S/C9H19NO/c1-4-5-6-7-10-11-8-9(2)3/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyOAXHQYJKWNWGDH-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-ethoxybut-1-en-1-amine
CID 56629294
(E)-N-propoxypent-1-en-1-amine
CID 56980510
N-methoxy-3-methylbut-1-en-1-amine
CID 57022748
(E)-N-pent-4-en-2-yloxyprop-1-en-1-amine
CID 57033610
(E)-N-(2-methylpropoxy)prop-1-en-1-amine
CID 57039239
N'-ethoxy-N-methoxyhepta-1,6-diene-1,7-diamine
CID 57046453
(E)-N-propoxybut-1-en-1-amine
CID 57144871
(E)-N-methoxypent-1-en-1-amine
CID 57184425
(E)-N-[(2-methylpropan-2-yl)oxy]but-1-en-1-amine
CID 57190782
(E)-N-butan-2-yloxybut-1-en-1-amine
CID 57199031
N-methoxypent-1-en-1-amine
CID 57208260
(E)-N-ethoxyhex-1-en-1-amine
CID 57219790

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)pent-1-en-1-amine?
The IUPAC name of N-(2-methylpropoxy)pent-1-en-1-amine (CID 57035049) is N-(2-methylpropoxy)pent-1-en-1-amine.
What is the SMILES notation for N-(2-methylpropoxy)pent-1-en-1-amine?
The canonical SMILES for N-(2-methylpropoxy)pent-1-en-1-amine is CCCC=CNOCC(C)C.
What is the InChIKey of N-(2-methylpropoxy)pent-1-en-1-amine?
The InChIKey is OAXHQYJKWNWGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-5-6-7-10-11-8-9(2)3/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of N-(2-methylpropoxy)pent-1-en-1-amine?
N-(2-methylpropoxy)pent-1-en-1-amine has a molecular weight of 157.26 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)pent-1-en-1-amine is sourced from PubChem (CID 57035049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).