N-ethoxyundecan-6-amine

C13H29NO — CID 82709427

IUPACN-ethoxyundecan-6-amine
SMILESCCCCCC(CCCCC)NOCC
InChIInChI=1S/C13H29NO/c1-4-7-9-11-13(14-15-6-3)12-10-8-5-2/h13-14H,4-12H2,1-3H3
InChIKeyWEWNTFVEMPMDPK-UHFFFAOYSA-N
MW215.38 g/mol
LogP4.06
Rot. Bonds11

About N-ethoxyundecan-6-amine

N-ethoxyundecan-6-amine (PubChem CID 82709427) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-ethoxyundecan-6-amine.

Molecular Properties

Compound NameN-ethoxyundecan-6-amine
PubChem CID82709427
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-ethoxyundecan-6-amine
SMILESCCCCCC(CCCCC)NOCC
InChIInChI=1S/C13H29NO/c1-4-7-9-11-13(14-15-6-3)12-10-8-5-2/h13-14H,4-12H2,1-3H3
InChIKeyWEWNTFVEMPMDPK-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethoxyoctan-2-amine
CID 82709858
2-(octadecan-3-ylamino)oxyethanol
CID 18787707
1-ethoxy-N-methyltridecan-2-amine
CID 105008040
N-(2-methylpropoxy)heptan-3-amine
CID 82712360
N-ethyltetradecan-7-amine
CID 87847195
N-ethyldecan-5-amine
CID 79405026
N-methylheptadecan-9-amine;hydrochloride
CID 175813537
1-ethoxy-N-ethylundecan-4-amine
CID 105124652
1,1-dimethyl-2-undecan-6-ylhydrazine
CID 83005023
N-methylundecan-4-amine
CID 60996531
N-methyloctadecan-3-amine
CID 150460863
N-methyldecan-3-amine
CID 60996977

Frequently Asked Questions

What is the IUPAC name of N-ethoxyundecan-6-amine?
The IUPAC name of N-ethoxyundecan-6-amine (CID 82709427) is N-ethoxyundecan-6-amine.
What is the SMILES notation for N-ethoxyundecan-6-amine?
The canonical SMILES for N-ethoxyundecan-6-amine is CCCCCC(CCCCC)NOCC.
What is the InChIKey of N-ethoxyundecan-6-amine?
The InChIKey is WEWNTFVEMPMDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-4-7-9-11-13(14-15-6-3)12-10-8-5-2/h13-14H,4-12H2,1-3H3.
What are the key properties of N-ethoxyundecan-6-amine?
N-ethoxyundecan-6-amine has a molecular weight of 215.38 g/mol, XLogP of 4.06, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxyundecan-6-amine is sourced from PubChem (CID 82709427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).