(E)-3-(3-butoxypropoxy)prop-2-en-1-amine

C10H21NO2 — CID 163524543

IUPAC(E)-3-(3-butoxypropoxy)prop-2-en-1-amine
SMILESCCCCOCCCO/C=C/CN
InChIInChI=1S/C10H21NO2/c1-2-3-7-12-9-5-10-13-8-4-6-11/h4,8H,2-3,5-7,9-11H2,1H3/b8-4+
InChIKeyDNQCWYSFQYRPCP-XBXARRHUSA-N
MW187.28 g/mol
LogP1.68
Rot. Bonds9

About (E)-3-(3-butoxypropoxy)prop-2-en-1-amine

(E)-3-(3-butoxypropoxy)prop-2-en-1-amine (PubChem CID 163524543) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (E)-3-(3-butoxypropoxy)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3-butoxypropoxy)prop-2-en-1-amine
PubChem CID163524543
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(E)-3-(3-butoxypropoxy)prop-2-en-1-amine
SMILESCCCCOCCCO/C=C/CN
InChIInChI=1S/C10H21NO2/c1-2-3-7-12-9-5-10-13-8-4-6-11/h4,8H,2-3,5-7,9-11H2,1H3/b8-4+
InChIKeyDNQCWYSFQYRPCP-XBXARRHUSA-N
XLogP1.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-1,4-dibutoxybut-1-ene
CID 15357022
1-[(E)-but-1-enoxy]butane
CID 5364928
4-butoxybut-3-en-1-amine
CID 174730615
4-(2-butoxyethoxy)but-2-en-1-amine
CID 77110139
1-[(E)-but-1-enoxy]heptane
CID 5366295
1-butoxyheptadec-1-ene
CID 173032025
1-butoxynonadec-1-ene
CID 173032007
1,4-bis[(E)-but-1-enoxy]butane
CID 22051874
1-[2-(2-ethoxyethoxy)ethenoxy]butane
CID 73415368
1-butoxyocta-1,6-diene
CID 87963042
1-[(E)-2-chloroethenoxy]butane
CID 12540865
3-[4-(2-butoxyethoxy)butoxy]propan-1-amine
CID 118457159

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-butoxypropoxy)prop-2-en-1-amine?
The IUPAC name of (E)-3-(3-butoxypropoxy)prop-2-en-1-amine (CID 163524543) is (E)-3-(3-butoxypropoxy)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3-butoxypropoxy)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(3-butoxypropoxy)prop-2-en-1-amine is CCCCOCCCO/C=C/CN.
What is the InChIKey of (E)-3-(3-butoxypropoxy)prop-2-en-1-amine?
The InChIKey is DNQCWYSFQYRPCP-XBXARRHUSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-3-7-12-9-5-10-13-8-4-6-11/h4,8H,2-3,5-7,9-11H2,1H3/b8-4+.
What are the key properties of (E)-3-(3-butoxypropoxy)prop-2-en-1-amine?
(E)-3-(3-butoxypropoxy)prop-2-en-1-amine has a molecular weight of 187.28 g/mol, XLogP of 1.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-butoxypropoxy)prop-2-en-1-amine is sourced from PubChem (CID 163524543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).