2-(2-butoxyethyl)-2-methyl-N-propylbut-3-en-1-amine

C14H29NO — CID 102640846

IUPAC2-(2-butoxyethyl)-2-methyl-N-propylbut-3-en-1-amine
SMILESC=CC(C)(CCOCCCC)CNCCC
InChIInChI=1S/C14H29NO/c1-5-8-11-16-12-9-14(4,7-3)13-15-10-6-2/h7,15H,3,5-6,8-13H2,1-2,4H3
InChIKeyJWVRIOOJOBDHEJ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.39
Rot. Bonds11

About 2-(2-butoxyethyl)-2-methyl-N-propylbut-3-en-1-amine

2-(2-butoxyethyl)-2-methyl-N-propylbut-3-en-1-amine (PubChem CID 102640846) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-(2-butoxyethyl)-2-methyl-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name2-(2-butoxyethyl)-2-methyl-N-propylbut-3-en-1-amine
PubChem CID102640846
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-(2-butoxyethyl)-2-methyl-N-propylbut-3-en-1-amine
SMILESC=CC(C)(CCOCCCC)CNCCC
InChIInChI=1S/C14H29NO/c1-5-8-11-16-12-9-14(4,7-3)13-15-10-6-2/h7,15H,3,5-6,8-13H2,1-2,4H3
InChIKeyJWVRIOOJOBDHEJ-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.39
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

N,2-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640593
N-ethyl-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640758
2-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640923
2-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102641085
N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102641752
N-[2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-enyl]cyclopropanamine
CID 113719679
N-tert-butyl-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 113719697
2-methyl-N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 113719718
4-butoxy-3,3-dimethyl-N-propylpent-4-en-1-amine
CID 89938542
4-ethoxy-3,3-dimethyl-N-propylpent-4-en-1-amine
CID 89938639
2-(2-Methoxyethyl)-2-methylbut-3-en-1-amine
CID 102640309
2-ethyl-N-(1-methoxyethyl)-2-methylpent-4-en-1-amine
CID 139312912

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethyl)-2-methyl-N-propylbut-3-en-1-amine?
The IUPAC name of 2-(2-butoxyethyl)-2-methyl-N-propylbut-3-en-1-amine (CID 102640846) is 2-(2-butoxyethyl)-2-methyl-N-propylbut-3-en-1-amine.
What is the SMILES notation for 2-(2-butoxyethyl)-2-methyl-N-propylbut-3-en-1-amine?
The canonical SMILES for 2-(2-butoxyethyl)-2-methyl-N-propylbut-3-en-1-amine is C=CC(C)(CCOCCCC)CNCCC.
What is the InChIKey of 2-(2-butoxyethyl)-2-methyl-N-propylbut-3-en-1-amine?
The InChIKey is JWVRIOOJOBDHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-8-11-16-12-9-14(4,7-3)13-15-10-6-2/h7,15H,3,5-6,8-13H2,1-2,4H3.
What are the key properties of 2-(2-butoxyethyl)-2-methyl-N-propylbut-3-en-1-amine?
2-(2-butoxyethyl)-2-methyl-N-propylbut-3-en-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.39, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethyl)-2-methyl-N-propylbut-3-en-1-amine is sourced from PubChem (CID 102640846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).