N-[3-(1,1-diethoxyethyl)undecyl]cyclohexanamine

C23H47NO2 — CID 150064364

IUPACN-[3-(1,1-diethoxyethyl)undecyl]cyclohexanamine
SMILESCCCCCCCCC(CCNC1CCCCC1)C(C)(OCC)OCC
InChIInChI=1S/C23H47NO2/c1-5-8-9-10-11-13-16-21(23(4,25-6-2)26-7-3)19-20-24-22-17-14-12-15-18-22/h21-22,24H,5-20H2,1-4H3
InChIKeyDNYMSLGWQNMVDU-UHFFFAOYSA-N
MW369.63 g/mol
LogP6.45
Rot. Bonds16

About N-[3-(1,1-diethoxyethyl)undecyl]cyclohexanamine

N-[3-(1,1-diethoxyethyl)undecyl]cyclohexanamine (PubChem CID 150064364) has the molecular formula C23H47NO2 and a molecular weight of 369.63 g/mol. Its IUPAC name is N-[3-(1,1-diethoxyethyl)undecyl]cyclohexanamine.

Molecular Properties

Compound NameN-[3-(1,1-diethoxyethyl)undecyl]cyclohexanamine
PubChem CID150064364
Molecular FormulaC23H47NO2
Molecular Weight369.63 g/mol
Exact Mass369.36
IUPAC NameN-[3-(1,1-diethoxyethyl)undecyl]cyclohexanamine
SMILESCCCCCCCCC(CCNC1CCCCC1)C(C)(OCC)OCC
InChIInChI=1S/C23H47NO2/c1-5-8-9-10-11-13-16-21(23(4,25-6-2)26-7-3)19-20-24-22-17-14-12-15-18-22/h21-22,24H,5-20H2,1-4H3
InChIKeyDNYMSLGWQNMVDU-UHFFFAOYSA-N
XLogP6.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.63
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-diethoxyethyl)undecyl]cyclohexanamine?
The IUPAC name of N-[3-(1,1-diethoxyethyl)undecyl]cyclohexanamine (CID 150064364) is N-[3-(1,1-diethoxyethyl)undecyl]cyclohexanamine.
What is the SMILES notation for N-[3-(1,1-diethoxyethyl)undecyl]cyclohexanamine?
The canonical SMILES for N-[3-(1,1-diethoxyethyl)undecyl]cyclohexanamine is CCCCCCCCC(CCNC1CCCCC1)C(C)(OCC)OCC.
What is the InChIKey of N-[3-(1,1-diethoxyethyl)undecyl]cyclohexanamine?
The InChIKey is DNYMSLGWQNMVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NO2/c1-5-8-9-10-11-13-16-21(23(4,25-6-2)26-7-3)19-20-24-22-17-14-12-15-18-22/h21-22,24H,5-20H2,1-4H3.
What are the key properties of N-[3-(1,1-diethoxyethyl)undecyl]cyclohexanamine?
N-[3-(1,1-diethoxyethyl)undecyl]cyclohexanamine has a molecular weight of 369.63 g/mol, XLogP of 6.45, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-diethoxyethyl)undecyl]cyclohexanamine is sourced from PubChem (CID 150064364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).