N-[[1-[2-(dimethylamino)ethyl]indol-3-yl]methyl]propan-2-amine

C16H25N3 — CID 66401921

IUPACN-[[1-[2-(dimethylamino)ethyl]indol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCN(C)C)c2ccccc12
InChIInChI=1S/C16H25N3/c1-13(2)17-11-14-12-19(10-9-18(3)4)16-8-6-5-7-15(14)16/h5-8,12-13,17H,9-11H2,1-4H3
InChIKeyQDMPNTBDNPAGBI-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.70
Rot. Bonds6

About N-[[1-[2-(dimethylamino)ethyl]indol-3-yl]methyl]propan-2-amine

N-[[1-[2-(dimethylamino)ethyl]indol-3-yl]methyl]propan-2-amine (PubChem CID 66401921) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[[1-[2-(dimethylamino)ethyl]indol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(dimethylamino)ethyl]indol-3-yl]methyl]propan-2-amine
PubChem CID66401921
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[[1-[2-(dimethylamino)ethyl]indol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCN(C)C)c2ccccc12
InChIInChI=1S/C16H25N3/c1-13(2)17-11-14-12-19(10-9-18(3)4)16-8-6-5-7-15(14)16/h5-8,12-13,17H,9-11H2,1-4H3
InChIKeyQDMPNTBDNPAGBI-UHFFFAOYSA-N
XLogP2.70
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylethanamine
CID 66409955
N-[[1-(3-methylbut-3-enyl)indol-3-yl]methyl]propan-2-amine
CID 114477034
2-[2-[3-[(propan-2-ylamino)methyl]indol-1-yl]ethoxy]ethanol
CID 66402697
N-methyl-3-[3-[(propan-2-ylamino)methyl]indol-1-yl]propanamide
CID 66401524
2-[1-[2-(dimethylamino)ethyl]indol-3-yl]ethanamine
CID 10421424
3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 71025575
2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetic acid
CID 83776315
N-[[1-(pyridin-2-ylmethyl)indol-3-yl]methyl]propan-2-amine
CID 66402503
N-[[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]methyl]propan-2-amine
CID 66407995
N,N-dimethyl-3-[3-[(2-pyrrolidin-1-ylethylamino)methyl]indol-1-yl]propan-1-amine
CID 71546964
N-ethyl-2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
CID 66407991
N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine
CID 71546960

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(dimethylamino)ethyl]indol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-(dimethylamino)ethyl]indol-3-yl]methyl]propan-2-amine (CID 66401921) is N-[[1-[2-(dimethylamino)ethyl]indol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-(dimethylamino)ethyl]indol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-(dimethylamino)ethyl]indol-3-yl]methyl]propan-2-amine is CC(C)NCc1cn(CCN(C)C)c2ccccc12.
What is the InChIKey of N-[[1-[2-(dimethylamino)ethyl]indol-3-yl]methyl]propan-2-amine?
The InChIKey is QDMPNTBDNPAGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-13(2)17-11-14-12-19(10-9-18(3)4)16-8-6-5-7-15(14)16/h5-8,12-13,17H,9-11H2,1-4H3.
What are the key properties of N-[[1-[2-(dimethylamino)ethyl]indol-3-yl]methyl]propan-2-amine?
N-[[1-[2-(dimethylamino)ethyl]indol-3-yl]methyl]propan-2-amine has a molecular weight of 259.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(dimethylamino)ethyl]indol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 66401921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).