N-(3-phenylpropyl)cyclododecanamine

C21H35N — CID 83958228

IUPACN-(3-phenylpropyl)cyclododecanamine
SMILESc1ccc(CCCNC2CCCCCCCCCCC2)cc1
InChIInChI=1S/C21H35N/c1-2-4-6-11-17-21(18-12-7-5-3-1)22-19-13-16-20-14-9-8-10-15-20/h8-10,14-15,21-22H,1-7,11-13,16-19H2
InChIKeyDNGYGSZYOZVDPT-UHFFFAOYSA-N
MW301.52 g/mol
LogP5.88
Rot. Bonds5

About N-(3-phenylpropyl)cyclododecanamine

N-(3-phenylpropyl)cyclododecanamine (PubChem CID 83958228) has the molecular formula C21H35N and a molecular weight of 301.52 g/mol. Its IUPAC name is N-(3-phenylpropyl)cyclododecanamine.

Molecular Properties

Compound NameN-(3-phenylpropyl)cyclododecanamine
PubChem CID83958228
Molecular FormulaC21H35N
Molecular Weight301.52 g/mol
Exact Mass301.28
IUPAC NameN-(3-phenylpropyl)cyclododecanamine
SMILESc1ccc(CCCNC2CCCCCCCCCCC2)cc1
InChIInChI=1S/C21H35N/c1-2-4-6-11-17-21(18-12-7-5-3-1)22-19-13-16-20-14-9-8-10-15-20/h8-10,14-15,21-22H,1-7,11-13,16-19H2
InChIKeyDNGYGSZYOZVDPT-UHFFFAOYSA-N
XLogP5.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.52
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(3-phenylpropylamino)cyclohexan-1-one
CID 15290860
N-(3-phenylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 15061903
N-(4-phenylbutyl)oxan-4-amine
CID 115651772
N-(4-phenylbutyl)piperidin-4-amine
CID 44592823
2-(3-phenylpropylamino)cyclohexan-1-ol
CID 45358268
N-(4-phenylbutyl)thian-4-amine
CID 115575565
1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine
CID 24786198
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
benzene;N-benzylcyclohexanamine
CID 142622843
4-(3-phenylpropylamino)cyclohexane-1-carboxamide
CID 43748734
N-[3-(3-methylphenyl)propyl]cyclobutanamine
CID 22492849
N-[3-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187240

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)cyclododecanamine?
The IUPAC name of N-(3-phenylpropyl)cyclododecanamine (CID 83958228) is N-(3-phenylpropyl)cyclododecanamine.
What is the SMILES notation for N-(3-phenylpropyl)cyclododecanamine?
The canonical SMILES for N-(3-phenylpropyl)cyclododecanamine is c1ccc(CCCNC2CCCCCCCCCCC2)cc1.
What is the InChIKey of N-(3-phenylpropyl)cyclododecanamine?
The InChIKey is DNGYGSZYOZVDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N/c1-2-4-6-11-17-21(18-12-7-5-3-1)22-19-13-16-20-14-9-8-10-15-20/h8-10,14-15,21-22H,1-7,11-13,16-19H2.
What are the key properties of N-(3-phenylpropyl)cyclododecanamine?
N-(3-phenylpropyl)cyclododecanamine has a molecular weight of 301.52 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)cyclododecanamine is sourced from PubChem (CID 83958228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).