N-benzyl-2-(1H-indol-3-yl)-N-methylethanamine;formaldehyde;propane;undecane

C36H62N2O — CID 143452594

IUPACN-benzyl-2-(1H-indol-3-yl)-N-methylethanamine;formaldehyde;propane;undecane
SMILESC=O.CCC.CCC.CCCCCCCCCCC.CN(CCc1c[nH]c2ccccc12)Cc1ccccc1
InChIInChI=1S/C18H20N2.C11H24.2C3H8.CH2O/c1-20(14-15-7-3-2-4-8-15)12-11-16-13-19-18-10-6-5-9-17(16)18;1-3-5-7-9-11-10-8-6-4-2;2*1-3-2;1-2/h2-10,13,19H,11-12,14H2,1H3;3-11H2,1-2H3;2*3H2,1-2H3;1H2
InChIKeyYRBWVDZGJPYUQF-UHFFFAOYSA-N
MW538.91 g/mol
LogP11.03
Rot. Bonds13

About N-benzyl-2-(1H-indol-3-yl)-N-methylethanamine;formaldehyde;propane;undecane

N-benzyl-2-(1H-indol-3-yl)-N-methylethanamine;formaldehyde;propane;undecane (PubChem CID 143452594) has the molecular formula C36H62N2O and a molecular weight of 538.91 g/mol. Its IUPAC name is N-benzyl-2-(1H-indol-3-yl)-N-methylethanamine;formaldehyde;propane;undecane.

Molecular Properties

Compound NameN-benzyl-2-(1H-indol-3-yl)-N-methylethanamine;formaldehyde;propane;undecane
PubChem CID143452594
Molecular FormulaC36H62N2O
Molecular Weight538.91 g/mol
Exact Mass538.49
IUPAC NameN-benzyl-2-(1H-indol-3-yl)-N-methylethanamine;formaldehyde;propane;undecane
SMILESC=O.CCC.CCC.CCCCCCCCCCC.CN(CCc1c[nH]c2ccccc12)Cc1ccccc1
InChIInChI=1S/C18H20N2.C11H24.2C3H8.CH2O/c1-20(14-15-7-3-2-4-8-15)12-11-16-13-19-18-10-6-5-9-17(16)18;1-3-5-7-9-11-10-8-6-4-2;2*1-3-2;1-2/h2-10,13,19H,11-12,14H2,1H3;3-11H2,1-2H3;2*3H2,1-2H3;1H2
InChIKeyYRBWVDZGJPYUQF-UHFFFAOYSA-N
XLogP11.03
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.91
LogP ≤ 511.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide
CID 42695889
3-heptyl-1H-indole
CID 15360907
N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-butylpropanamide
CID 5096553
[2-(1H-indol-3-yl)ethyl-methylamino]methanol
CID 115229481
N-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine
CID 115263517
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-butyl-3-phenylpropanamide
CID 4114319
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-cyclopropylheptanamide
CID 3434547
2-[acetyl(propyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 4245533
N-(1-benzofuran-3-ylmethyl)-2-(1H-indol-3-yl)-N-methylethanamine
CID 141098379
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 4998732
N-butyl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]butanamide
CID 42772355

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1H-indol-3-yl)-N-methylethanamine;formaldehyde;propane;undecane?
The IUPAC name of N-benzyl-2-(1H-indol-3-yl)-N-methylethanamine;formaldehyde;propane;undecane (CID 143452594) is N-benzyl-2-(1H-indol-3-yl)-N-methylethanamine;formaldehyde;propane;undecane.
What is the SMILES notation for N-benzyl-2-(1H-indol-3-yl)-N-methylethanamine;formaldehyde;propane;undecane?
The canonical SMILES for N-benzyl-2-(1H-indol-3-yl)-N-methylethanamine;formaldehyde;propane;undecane is C=O.CCC.CCC.CCCCCCCCCCC.CN(CCc1c[nH]c2ccccc12)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-(1H-indol-3-yl)-N-methylethanamine;formaldehyde;propane;undecane?
The InChIKey is YRBWVDZGJPYUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2.C11H24.2C3H8.CH2O/c1-20(14-15-7-3-2-4-8-15)12-11-16-13-19-18-10-6-5-9-17(16)18;1-3-5-7-9-11-10-8-6-4-2;2*1-3-2;1-2/h2-10,13,19H,11-12,14H2,1H3;3-11H2,1-2H3;2*3H2,1-2H3;1H2.
What are the key properties of N-benzyl-2-(1H-indol-3-yl)-N-methylethanamine;formaldehyde;propane;undecane?
N-benzyl-2-(1H-indol-3-yl)-N-methylethanamine;formaldehyde;propane;undecane has a molecular weight of 538.91 g/mol, XLogP of 11.03, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1H-indol-3-yl)-N-methylethanamine;formaldehyde;propane;undecane is sourced from PubChem (CID 143452594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).