2-(3-methylbutoxymethyl)prop-2-en-1-amine

C9H19NO — CID 103074387

IUPAC2-(3-methylbutoxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COCCC(C)C
InChIInChI=1S/C9H19NO/c1-8(2)4-5-11-7-9(3)6-10/h8H,3-7,10H2,1-2H3
InChIKeyZXUPDDDEFGNRDK-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.56
Rot. Bonds6

About 2-(3-methylbutoxymethyl)prop-2-en-1-amine

2-(3-methylbutoxymethyl)prop-2-en-1-amine (PubChem CID 103074387) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(3-methylbutoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(3-methylbutoxymethyl)prop-2-en-1-amine
PubChem CID103074387
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(3-methylbutoxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COCCC(C)C
InChIInChI=1S/C9H19NO/c1-8(2)4-5-11-7-9(3)6-10/h8H,3-7,10H2,1-2H3
InChIKeyZXUPDDDEFGNRDK-UHFFFAOYSA-N
XLogP1.56
TPSA35.25 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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Ethoxymethyl)buta-2,3-dien-1-amine
CID 19894398
3-(2-Methylidenebutoxy)propan-1-amine
CID 66045735
2-(Aminomethyl)-3-methoxyprop-1-ene
CID 103074361
2-(Ethoxymethyl)prop-2-en-1-amine
CID 103074368
2-(2-Ethoxyethoxymethyl)prop-2-en-1-amine
CID 103074375
N-ethyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine
CID 103074382
2-(3-methylbutoxymethyl)-N-propylprop-2-en-1-amine
CID 103074386
N-methyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine
CID 103074388
2-(2-Methylpropoxymethyl)prop-2-en-1-amine
CID 103074427
N-methyl-2-(2-methylpropoxymethyl)prop-2-en-1-amine
CID 103074428
2-(4-Methylpentan-2-yloxymethyl)prop-2-en-1-amine
CID 103074482
2-(2-Butoxyethoxymethyl)prop-2-en-1-amine
CID 103074520

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxymethyl)prop-2-en-1-amine?
The IUPAC name of 2-(3-methylbutoxymethyl)prop-2-en-1-amine (CID 103074387) is 2-(3-methylbutoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(3-methylbutoxymethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(3-methylbutoxymethyl)prop-2-en-1-amine is C=C(CN)COCCC(C)C.
What is the InChIKey of 2-(3-methylbutoxymethyl)prop-2-en-1-amine?
The InChIKey is ZXUPDDDEFGNRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)4-5-11-7-9(3)6-10/h8H,3-7,10H2,1-2H3.
What are the key properties of 2-(3-methylbutoxymethyl)prop-2-en-1-amine?
2-(3-methylbutoxymethyl)prop-2-en-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).