N-(2-methylpropyl)-6-pent-4-enoxyhexan-1-amine

C15H31NO — CID 79114411

IUPACN-(2-methylpropyl)-6-pent-4-enoxyhexan-1-amine
SMILESC=CCCCOCCCCCCNCC(C)C
InChIInChI=1S/C15H31NO/c1-4-5-9-12-17-13-10-7-6-8-11-16-14-15(2)3/h4,15-16H,1,5-14H2,2-3H3
InChIKeyNFUHAZCWAHOMTF-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.78
Rot. Bonds13

About N-(2-methylpropyl)-6-pent-4-enoxyhexan-1-amine

N-(2-methylpropyl)-6-pent-4-enoxyhexan-1-amine (PubChem CID 79114411) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-(2-methylpropyl)-6-pent-4-enoxyhexan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-6-pent-4-enoxyhexan-1-amine
PubChem CID79114411
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-(2-methylpropyl)-6-pent-4-enoxyhexan-1-amine
SMILESC=CCCCOCCCCCCNCC(C)C
InChIInChI=1S/C15H31NO/c1-4-5-9-12-17-13-10-7-6-8-11-16-14-15(2)3/h4,15-16H,1,5-14H2,2-3H3
InChIKeyNFUHAZCWAHOMTF-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.78
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)-6-pent-4-enoxyhexan-1-amine?
The IUPAC name of N-(2-methylpropyl)-6-pent-4-enoxyhexan-1-amine (CID 79114411) is N-(2-methylpropyl)-6-pent-4-enoxyhexan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-6-pent-4-enoxyhexan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-6-pent-4-enoxyhexan-1-amine is C=CCCCOCCCCCCNCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-6-pent-4-enoxyhexan-1-amine?
The InChIKey is NFUHAZCWAHOMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-5-9-12-17-13-10-7-6-8-11-16-14-15(2)3/h4,15-16H,1,5-14H2,2-3H3.
What are the key properties of N-(2-methylpropyl)-6-pent-4-enoxyhexan-1-amine?
N-(2-methylpropyl)-6-pent-4-enoxyhexan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.78, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-6-pent-4-enoxyhexan-1-amine is sourced from PubChem (CID 79114411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).