N-(1-phenylethyl)cyclododecanamine

C20H33N — CID 60662638

IUPACN-(1-phenylethyl)cyclododecanamine
SMILESCC(NC1CCCCCCCCCCC1)c1ccccc1
InChIInChI=1S/C20H33N/c1-18(19-14-10-9-11-15-19)21-20-16-12-7-5-3-2-4-6-8-13-17-20/h9-11,14-15,18,20-21H,2-8,12-13,16-17H2,1H3
InChIKeyUSQTZNHXJHZSDU-UHFFFAOYSA-N
MW287.49 g/mol
LogP6.01
Rot. Bonds3

About N-(1-phenylethyl)cyclododecanamine

N-(1-phenylethyl)cyclododecanamine (PubChem CID 60662638) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-(1-phenylethyl)cyclododecanamine.

Molecular Properties

Compound NameN-(1-phenylethyl)cyclododecanamine
PubChem CID60662638
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-(1-phenylethyl)cyclododecanamine
SMILESCC(NC1CCCCCCCCCCC1)c1ccccc1
InChIInChI=1S/C20H33N/c1-18(19-14-10-9-11-15-19)21-20-16-12-7-5-3-2-4-6-8-13-17-20/h9-11,14-15,18,20-21H,2-8,12-13,16-17H2,1H3
InChIKeyUSQTZNHXJHZSDU-UHFFFAOYSA-N
XLogP6.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-phenylphenyl)ethyl]cyclopentanamine
CID 43078880
N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
CID 28646598
1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine
CID 81350289
N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 81351686
N-(1-phenylethyl)oxan-4-amine
CID 43608319
3-cyclopropyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 81350676
3-methyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 12731669
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604
N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395
N-[1-(4-tert-butylphenyl)ethyl]cycloheptanamine
CID 43095672
4-(1-phenylethylamino)cyclohexan-1-one
CID 85299534
N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine
CID 28555572

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)cyclododecanamine?
The IUPAC name of N-(1-phenylethyl)cyclododecanamine (CID 60662638) is N-(1-phenylethyl)cyclododecanamine.
What is the SMILES notation for N-(1-phenylethyl)cyclododecanamine?
The canonical SMILES for N-(1-phenylethyl)cyclododecanamine is CC(NC1CCCCCCCCCCC1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)cyclododecanamine?
The InChIKey is USQTZNHXJHZSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-18(19-14-10-9-11-15-19)21-20-16-12-7-5-3-2-4-6-8-13-17-20/h9-11,14-15,18,20-21H,2-8,12-13,16-17H2,1H3.
What are the key properties of N-(1-phenylethyl)cyclododecanamine?
N-(1-phenylethyl)cyclododecanamine has a molecular weight of 287.49 g/mol, XLogP of 6.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)cyclododecanamine is sourced from PubChem (CID 60662638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).