N-[2-(3-aminophenyl)ethyl]cyclododecanamine

C20H34N2 — CID 82257295

IUPACN-[2-(3-aminophenyl)ethyl]cyclododecanamine
SMILESNc1cccc(CCNC2CCCCCCCCCCC2)c1
InChIInChI=1S/C20H34N2/c21-19-12-10-11-18(17-19)15-16-22-20-13-8-6-4-2-1-3-5-7-9-14-20/h10-12,17,20,22H,1-9,13-16,21H2
InChIKeyNRRWOYDEVRMVJL-UHFFFAOYSA-N
MW302.51 g/mol
LogP5.07
Rot. Bonds4

About N-[2-(3-aminophenyl)ethyl]cyclododecanamine

N-[2-(3-aminophenyl)ethyl]cyclododecanamine (PubChem CID 82257295) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is N-[2-(3-aminophenyl)ethyl]cyclododecanamine.

Molecular Properties

Compound NameN-[2-(3-aminophenyl)ethyl]cyclododecanamine
PubChem CID82257295
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC NameN-[2-(3-aminophenyl)ethyl]cyclododecanamine
SMILESNc1cccc(CCNC2CCCCCCCCCCC2)c1
InChIInChI=1S/C20H34N2/c21-19-12-10-11-18(17-19)15-16-22-20-13-8-6-4-2-1-3-5-7-9-14-20/h10-12,17,20,22H,1-9,13-16,21H2
InChIKeyNRRWOYDEVRMVJL-UHFFFAOYSA-N
XLogP5.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.51
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminophenyl)ethyl]cyclododecanamine?
The IUPAC name of N-[2-(3-aminophenyl)ethyl]cyclododecanamine (CID 82257295) is N-[2-(3-aminophenyl)ethyl]cyclododecanamine.
What is the SMILES notation for N-[2-(3-aminophenyl)ethyl]cyclododecanamine?
The canonical SMILES for N-[2-(3-aminophenyl)ethyl]cyclododecanamine is Nc1cccc(CCNC2CCCCCCCCCCC2)c1.
What is the InChIKey of N-[2-(3-aminophenyl)ethyl]cyclododecanamine?
The InChIKey is NRRWOYDEVRMVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2/c21-19-12-10-11-18(17-19)15-16-22-20-13-8-6-4-2-1-3-5-7-9-14-20/h10-12,17,20,22H,1-9,13-16,21H2.
What are the key properties of N-[2-(3-aminophenyl)ethyl]cyclododecanamine?
N-[2-(3-aminophenyl)ethyl]cyclododecanamine has a molecular weight of 302.51 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminophenyl)ethyl]cyclododecanamine is sourced from PubChem (CID 82257295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).