N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine

C26H45N3 — CID 71546960

IUPACN-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine
SMILESCCCCCCCCCCCCNCc1cn(CCCN(C)C)c2ccccc12
InChIInChI=1S/C26H45N3/c1-4-5-6-7-8-9-10-11-12-15-19-27-22-24-23-29(21-16-20-28(2)3)26-18-14-13-17-25(24)26/h13-14,17-18,23,27H,4-12,15-16,19-22H2,1-3H3
InChIKeyVNQPWAKHRCXOLL-UHFFFAOYSA-N
MW399.67 g/mol
LogP6.60
Rot. Bonds17

About N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine

N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine (PubChem CID 71546960) has the molecular formula C26H45N3 and a molecular weight of 399.67 g/mol. Its IUPAC name is N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine.

Molecular Properties

Compound NameN-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine
PubChem CID71546960
Molecular FormulaC26H45N3
Molecular Weight399.67 g/mol
Exact Mass399.36
IUPAC NameN-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine
SMILESCCCCCCCCCCCCNCc1cn(CCCN(C)C)c2ccccc12
InChIInChI=1S/C26H45N3/c1-4-5-6-7-8-9-10-11-12-15-19-27-22-24-23-29(21-16-20-28(2)3)26-18-14-13-17-25(24)26/h13-14,17-18,23,27H,4-12,15-16,19-22H2,1-3H3
InChIKeyVNQPWAKHRCXOLL-UHFFFAOYSA-N
XLogP6.60
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.67
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 71025575
3-[3-[(2-methoxyethylamino)methyl]indol-1-yl]-N,N-dimethylpropan-1-amine
CID 114526179
N,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine
CID 70686044
N,N-dimethyl-3-[3-[(2-pyrrolidin-1-ylethylamino)methyl]indol-1-yl]propan-1-amine
CID 71546964
2-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylethanamine
CID 66409955
5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol
CID 66408211
N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine
CID 119027572
3-[(1-propylindol-3-yl)methylamino]propan-1-ol
CID 94074142
3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine
CID 94074135
N-[(1-propan-2-ylindol-3-yl)methyl]octan-1-amine
CID 119027489
N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 124805206
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]heptan-1-amine;hydrochloride
CID 17157722

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine?
The IUPAC name of N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine (CID 71546960) is N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine.
What is the SMILES notation for N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine?
The canonical SMILES for N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine is CCCCCCCCCCCCNCc1cn(CCCN(C)C)c2ccccc12.
What is the InChIKey of N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine?
The InChIKey is VNQPWAKHRCXOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45N3/c1-4-5-6-7-8-9-10-11-12-15-19-27-22-24-23-29(21-16-20-28(2)3)26-18-14-13-17-25(24)26/h13-14,17-18,23,27H,4-12,15-16,19-22H2,1-3H3.
What are the key properties of N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine?
N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine has a molecular weight of 399.67 g/mol, XLogP of 6.60, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine is sourced from PubChem (CID 71546960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).