N-methylpropan-2-amine;1-propyl-2-tetradecylbenzene

C27H51N — CID 158412093

IUPACN-methylpropan-2-amine;1-propyl-2-tetradecylbenzene
SMILESCCCCCCCCCCCCCCc1ccccc1CCC.CNC(C)C
InChIInChI=1S/C23H40.C4H11N/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-23-21-17-16-20-22(23)18-4-2;1-4(2)5-3/h16-17,20-21H,3-15,18-19H2,1-2H3;4-5H,1-3H3
InChIKeyGZKZYDFIRXYLQL-UHFFFAOYSA-N
MW389.71 g/mol
LogP8.50
Rot. Bonds16

About N-methylpropan-2-amine;1-propyl-2-tetradecylbenzene

N-methylpropan-2-amine;1-propyl-2-tetradecylbenzene (PubChem CID 158412093) has the molecular formula C27H51N and a molecular weight of 389.71 g/mol. Its IUPAC name is N-methylpropan-2-amine;1-propyl-2-tetradecylbenzene.

Molecular Properties

Compound NameN-methylpropan-2-amine;1-propyl-2-tetradecylbenzene
PubChem CID158412093
Molecular FormulaC27H51N
Molecular Weight389.71 g/mol
Exact Mass389.40
IUPAC NameN-methylpropan-2-amine;1-propyl-2-tetradecylbenzene
SMILESCCCCCCCCCCCCCCc1ccccc1CCC.CNC(C)C
InChIInChI=1S/C23H40.C4H11N/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-23-21-17-16-20-22(23)18-4-2;1-4(2)5-3/h16-17,20-21H,3-15,18-19H2,1-2H3;4-5H,1-3H3
InChIKeyGZKZYDFIRXYLQL-UHFFFAOYSA-N
XLogP8.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.71
LogP ≤ 58.50
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

1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1,2-dihexylbenzene;hydrate
CID 172833093
1-ethyl-2-henicosylbenzene
CID 141174443
1,4-bis[(2-octylphenyl)methyl]benzene
CID 22921262
1-(bromomethyl)-2-pentylbenzene
CID 19779718
1,2-didecylbenzene;phosphonous acid
CID 70526437
(2-heptylphenyl)methanamine
CID 57355618
carbonic acid;1,2-dihexylbenzene
CID 174444225

Frequently Asked Questions

What is the IUPAC name of N-methylpropan-2-amine;1-propyl-2-tetradecylbenzene?
The IUPAC name of N-methylpropan-2-amine;1-propyl-2-tetradecylbenzene (CID 158412093) is N-methylpropan-2-amine;1-propyl-2-tetradecylbenzene.
What is the SMILES notation for N-methylpropan-2-amine;1-propyl-2-tetradecylbenzene?
The canonical SMILES for N-methylpropan-2-amine;1-propyl-2-tetradecylbenzene is CCCCCCCCCCCCCCc1ccccc1CCC.CNC(C)C.
What is the InChIKey of N-methylpropan-2-amine;1-propyl-2-tetradecylbenzene?
The InChIKey is GZKZYDFIRXYLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40.C4H11N/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-23-21-17-16-20-22(23)18-4-2;1-4(2)5-3/h16-17,20-21H,3-15,18-19H2,1-2H3;4-5H,1-3H3.
What are the key properties of N-methylpropan-2-amine;1-propyl-2-tetradecylbenzene?
N-methylpropan-2-amine;1-propyl-2-tetradecylbenzene has a molecular weight of 389.71 g/mol, XLogP of 8.50, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpropan-2-amine;1-propyl-2-tetradecylbenzene is sourced from PubChem (CID 158412093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).