4-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine

C14H29NO — CID 114470779

IUPAC4-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine
SMILESC=C(C)CCOC(C)CCCNCC(C)C
InChIInChI=1S/C14H29NO/c1-12(2)8-10-16-14(5)7-6-9-15-11-13(3)4/h13-15H,1,6-11H2,2-5H3
InChIKeyUAGUBOCLQINYOX-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.38
Rot. Bonds10

About 4-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine

4-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine (PubChem CID 114470779) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name4-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine
PubChem CID114470779
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine
SMILESC=C(C)CCOC(C)CCCNCC(C)C
InChIInChI=1S/C14H29NO/c1-12(2)8-10-16-14(5)7-6-9-15-11-13(3)4/h13-15H,1,6-11H2,2-5H3
InChIKeyUAGUBOCLQINYOX-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.38
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

4-but-3-enoxy-N-(2-methylpropyl)butan-1-amine
CID 62442670
4-but-3-enoxy-N-methylpentan-1-amine
CID 62443223
4-but-3-enoxy-N-ethylpentan-1-amine
CID 62443224
4-but-3-enoxy-N-propylpentan-1-amine
CID 62443225
4-but-3-enoxy-N-propan-2-ylpentan-1-amine
CID 62443226
4-but-3-enoxy-N-tert-butylpentan-1-amine
CID 62443228
4-but-3-enoxy-N-(2-methylpropyl)pentan-1-amine
CID 62443229
1-(3-but-3-enoxycyclobutyl)-N-methylmethanamine
CID 65989465
N-methyl-1-[3-(2-methylidenebutoxy)cyclobutyl]methanamine
CID 66046692
N-ethyl-4-pent-4-enoxypentan-1-amine
CID 79113610
N-tert-butyl-4-pent-4-enoxypentan-1-amine
CID 79114760
N-(2-methylpropyl)-4-pent-4-enoxypentan-1-amine
CID 79114916

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 4-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine (CID 114470779) is 4-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 4-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 4-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine is C=C(C)CCOC(C)CCCNCC(C)C.
What is the InChIKey of 4-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is UAGUBOCLQINYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(2)8-10-16-14(5)7-6-9-15-11-13(3)4/h13-15H,1,6-11H2,2-5H3.
What are the key properties of 4-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine?
4-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 114470779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).