N-(3-methoxypropyl)but-2-en-1-amine

C8H17NO — CID 141114673

IUPACN-(3-methoxypropyl)but-2-en-1-amine
SMILESCC=CCNCCCOC
InChIInChI=1S/C8H17NO/c1-3-4-6-9-7-5-8-10-2/h3-4,9H,5-8H2,1-2H3
InChIKeyQIMRJLDYTWLREV-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.19
Rot. Bonds6

About N-(3-methoxypropyl)but-2-en-1-amine

N-(3-methoxypropyl)but-2-en-1-amine (PubChem CID 141114673) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-(3-methoxypropyl)but-2-en-1-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)but-2-en-1-amine
PubChem CID141114673
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-(3-methoxypropyl)but-2-en-1-amine
SMILESCC=CCNCCCOC
InChIInChI=1S/C8H17NO/c1-3-4-6-9-7-5-8-10-2/h3-4,9H,5-8H2,1-2H3
InChIKeyQIMRJLDYTWLREV-UHFFFAOYSA-N
XLogP1.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.19
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

(E)-4-chloro-N-(3-methoxypropyl)but-2-en-1-amine
CID 81429259
(Z)-N-(2-ethoxyethyl)but-2-en-1-amine
CID 143071709
(E)-N-(2-bromoethyl)but-2-en-1-amine
CID 107897799
(E)-N-(2-chloro-3-methoxypropyl)but-2-en-1-amine
CID 107897694
N'-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 54808435
3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine
CID 63685704
4-iodo-N-(3-methoxypropyl)butan-1-amine
CID 106844640
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
(Z)-5-methoxypent-2-ene
CID 59946556
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
5-(3-methoxypropylamino)pentanoic acid
CID 103237135
N-(3-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine
CID 60925630

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)but-2-en-1-amine?
The IUPAC name of N-(3-methoxypropyl)but-2-en-1-amine (CID 141114673) is N-(3-methoxypropyl)but-2-en-1-amine.
What is the SMILES notation for N-(3-methoxypropyl)but-2-en-1-amine?
The canonical SMILES for N-(3-methoxypropyl)but-2-en-1-amine is CC=CCNCCCOC.
What is the InChIKey of N-(3-methoxypropyl)but-2-en-1-amine?
The InChIKey is QIMRJLDYTWLREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-4-6-9-7-5-8-10-2/h3-4,9H,5-8H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)but-2-en-1-amine?
N-(3-methoxypropyl)but-2-en-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)but-2-en-1-amine is sourced from PubChem (CID 141114673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).