N-[2-(oxolan-2-yl)ethyl]undecan-6-amine

C17H35NO — CID 63452863

IUPACN-[2-(oxolan-2-yl)ethyl]undecan-6-amine
SMILESCCCCCC(CCCCC)NCCC1CCCO1
InChIInChI=1S/C17H35NO/c1-3-5-7-10-16(11-8-6-4-2)18-14-13-17-12-9-15-19-17/h16-18H,3-15H2,1-2H3
InChIKeyIINIPHNMUBMQEO-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.67
Rot. Bonds12

About N-[2-(oxolan-2-yl)ethyl]undecan-6-amine

N-[2-(oxolan-2-yl)ethyl]undecan-6-amine (PubChem CID 63452863) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-[2-(oxolan-2-yl)ethyl]undecan-6-amine.

Molecular Properties

Compound NameN-[2-(oxolan-2-yl)ethyl]undecan-6-amine
PubChem CID63452863
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-[2-(oxolan-2-yl)ethyl]undecan-6-amine
SMILESCCCCCC(CCCCC)NCCC1CCCO1
InChIInChI=1S/C17H35NO/c1-3-5-7-10-16(11-8-6-4-2)18-14-13-17-12-9-15-19-17/h16-18H,3-15H2,1-2H3
InChIKeyIINIPHNMUBMQEO-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(oxolan-2-yl)-N-propyloctan-3-amine
CID 115837005
N-ethyl-1-(oxolan-2-yl)heptan-3-amine
CID 79404378
6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine
CID 105156636
N-ethyl-1-(oxolan-2-yl)decan-2-amine
CID 62600159
1-chloro-N-[2-(oxolan-2-yl)ethyl]butan-2-amine
CID 65165393
N-[2-(oxolan-2-yl)ethyl]nonan-1-amine
CID 61039120
1-cyclopentyl-5-(oxolan-2-yl)-N-propylpentan-2-amine
CID 104993245
1-methylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164508
N-methyl-1-(oxolan-2-yl)decan-2-amine
CID 62600553
1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine
CID 65164444
1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine
CID 103149889
2-tetradecyloxolane
CID 10683364

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-yl)ethyl]undecan-6-amine?
The IUPAC name of N-[2-(oxolan-2-yl)ethyl]undecan-6-amine (CID 63452863) is N-[2-(oxolan-2-yl)ethyl]undecan-6-amine.
What is the SMILES notation for N-[2-(oxolan-2-yl)ethyl]undecan-6-amine?
The canonical SMILES for N-[2-(oxolan-2-yl)ethyl]undecan-6-amine is CCCCCC(CCCCC)NCCC1CCCO1.
What is the InChIKey of N-[2-(oxolan-2-yl)ethyl]undecan-6-amine?
The InChIKey is IINIPHNMUBMQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-3-5-7-10-16(11-8-6-4-2)18-14-13-17-12-9-15-19-17/h16-18H,3-15H2,1-2H3.
What are the key properties of N-[2-(oxolan-2-yl)ethyl]undecan-6-amine?
N-[2-(oxolan-2-yl)ethyl]undecan-6-amine has a molecular weight of 269.47 g/mol, XLogP of 4.67, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-yl)ethyl]undecan-6-amine is sourced from PubChem (CID 63452863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).