N-(2-methylpropyl)-4-pent-4-enoxypentan-1-amine

C14H29NO — CID 79114916

IUPACN-(2-methylpropyl)-4-pent-4-enoxypentan-1-amine
SMILESC=CCCCOC(C)CCCNCC(C)C
InChIInChI=1S/C14H29NO/c1-5-6-7-11-16-14(4)9-8-10-15-12-13(2)3/h5,13-15H,1,6-12H2,2-4H3
InChIKeyAWIYHJDOICBSQM-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.38
Rot. Bonds11

About N-(2-methylpropyl)-4-pent-4-enoxypentan-1-amine

N-(2-methylpropyl)-4-pent-4-enoxypentan-1-amine (PubChem CID 79114916) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-pent-4-enoxypentan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-pent-4-enoxypentan-1-amine
PubChem CID79114916
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-(2-methylpropyl)-4-pent-4-enoxypentan-1-amine
SMILESC=CCCCOC(C)CCCNCC(C)C
InChIInChI=1S/C14H29NO/c1-5-6-7-11-16-14(4)9-8-10-15-12-13(2)3/h5,13-15H,1,6-12H2,2-4H3
InChIKeyAWIYHJDOICBSQM-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-pent-4-enoxypentan-1-amine?
The IUPAC name of N-(2-methylpropyl)-4-pent-4-enoxypentan-1-amine (CID 79114916) is N-(2-methylpropyl)-4-pent-4-enoxypentan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-4-pent-4-enoxypentan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-4-pent-4-enoxypentan-1-amine is C=CCCCOC(C)CCCNCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-4-pent-4-enoxypentan-1-amine?
The InChIKey is AWIYHJDOICBSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-6-7-11-16-14(4)9-8-10-15-12-13(2)3/h5,13-15H,1,6-12H2,2-4H3.
What are the key properties of N-(2-methylpropyl)-4-pent-4-enoxypentan-1-amine?
N-(2-methylpropyl)-4-pent-4-enoxypentan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.38, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-pent-4-enoxypentan-1-amine is sourced from PubChem (CID 79114916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).