N-(1-phenylpropyl)undecan-6-amine

C20H35N — CID 63477274

IUPACN-(1-phenylpropyl)undecan-6-amine
SMILESCCCCCC(CCCCC)NC(CC)c1ccccc1
InChIInChI=1S/C20H35N/c1-4-7-10-16-19(17-11-8-5-2)21-20(6-3)18-14-12-9-13-15-18/h9,12-15,19-21H,4-8,10-11,16-17H2,1-3H3
InChIKeyHEIDBMQOFBHVQR-UHFFFAOYSA-N
MW289.51 g/mol
LogP6.26
Rot. Bonds12

About N-(1-phenylpropyl)undecan-6-amine

N-(1-phenylpropyl)undecan-6-amine (PubChem CID 63477274) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-(1-phenylpropyl)undecan-6-amine.

Molecular Properties

Compound NameN-(1-phenylpropyl)undecan-6-amine
PubChem CID63477274
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-(1-phenylpropyl)undecan-6-amine
SMILESCCCCCC(CCCCC)NC(CC)c1ccccc1
InChIInChI=1S/C20H35N/c1-4-7-10-16-19(17-11-8-5-2)21-20(6-3)18-14-12-9-13-15-18/h9,12-15,19-21H,4-8,10-11,16-17H2,1-3H3
InChIKeyHEIDBMQOFBHVQR-UHFFFAOYSA-N
XLogP6.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 56.26
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

N-pentan-3-yl-1-phenylpentan-1-amine
CID 43756569
N-heptan-3-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 63945877
N-(1-methylsulfanylbutan-2-yl)-1-phenylpentan-1-amine
CID 113494589
(2S)-2-phenyl-2-[[(4R)-tridec-1-en-4-yl]amino]ethanol
CID 101125400
2-(heptan-4-ylamino)-2-phenylethanol
CID 55160187
[(1S)-1-phenyldecyl]hydrazine
CID 124596381
N-(1-phenylpentyl)octan-2-amine
CID 43791089
(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
CID 28723478
N-pentyl-1-phenyldecan-1-amine
CID 10380274
N-methoxy-1-phenylhexan-1-amine
CID 82707077
(2R)-2-(heptan-2-ylamino)-2-phenylethanol
CID 103788664
octan-3-ylbenzene
CID 519547

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropyl)undecan-6-amine?
The IUPAC name of N-(1-phenylpropyl)undecan-6-amine (CID 63477274) is N-(1-phenylpropyl)undecan-6-amine.
What is the SMILES notation for N-(1-phenylpropyl)undecan-6-amine?
The canonical SMILES for N-(1-phenylpropyl)undecan-6-amine is CCCCCC(CCCCC)NC(CC)c1ccccc1.
What is the InChIKey of N-(1-phenylpropyl)undecan-6-amine?
The InChIKey is HEIDBMQOFBHVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-4-7-10-16-19(17-11-8-5-2)21-20(6-3)18-14-12-9-13-15-18/h9,12-15,19-21H,4-8,10-11,16-17H2,1-3H3.
What are the key properties of N-(1-phenylpropyl)undecan-6-amine?
N-(1-phenylpropyl)undecan-6-amine has a molecular weight of 289.51 g/mol, XLogP of 6.26, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropyl)undecan-6-amine is sourced from PubChem (CID 63477274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).