(3S,5R)-3,5-dimethyl-N-[(1-propylindol-3-yl)methyl]adamantan-1-amine

C24H34N2 — CID 124805468

IUPAC(3S,5R)-3,5-dimethyl-N-[(1-propylindol-3-yl)methyl]adamantan-1-amine
SMILESCCCn1cc(CNC23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c2ccccc21
InChIInChI=1S/C24H34N2/c1-4-9-26-14-19(20-7-5-6-8-21(20)26)13-25-24-12-18-10-22(2,16-24)15-23(3,11-18)17-24/h5-8,14,18,25H,4,9-13,15-17H2,1-3H3/t18?,22-,23+,24?
InChIKeyJJXYSQYFYNBKGR-SYQRVOMBSA-N
MW350.55 g/mol
LogP5.89
Rot. Bonds5

About (3S,5R)-3,5-dimethyl-N-[(1-propylindol-3-yl)methyl]adamantan-1-amine

(3S,5R)-3,5-dimethyl-N-[(1-propylindol-3-yl)methyl]adamantan-1-amine (PubChem CID 124805468) has the molecular formula C24H34N2 and a molecular weight of 350.55 g/mol. Its IUPAC name is (3S,5R)-3,5-dimethyl-N-[(1-propylindol-3-yl)methyl]adamantan-1-amine.

Molecular Properties

Compound Name(3S,5R)-3,5-dimethyl-N-[(1-propylindol-3-yl)methyl]adamantan-1-amine
PubChem CID124805468
Molecular FormulaC24H34N2
Molecular Weight350.55 g/mol
Exact Mass350.27
IUPAC Name(3S,5R)-3,5-dimethyl-N-[(1-propylindol-3-yl)methyl]adamantan-1-amine
SMILESCCCn1cc(CNC23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c2ccccc21
InChIInChI=1S/C24H34N2/c1-4-9-26-14-19(20-7-5-6-8-21(20)26)13-25-24-12-18-10-22(2,16-24)15-23(3,11-18)17-24/h5-8,14,18,25H,4,9-13,15-17H2,1-3H3/t18?,22-,23+,24?
InChIKeyJJXYSQYFYNBKGR-SYQRVOMBSA-N
XLogP5.89
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5R)-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-3,5-dimethyladamantan-1-amine
CID 124911801
N-benzyl-3,5-dimethyladamantan-1-amine
CID 4721832
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]adamantan-1-amine
CID 124895823
N-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine
CID 4719250
3,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]adamantan-1-amine
CID 4719008
1-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 119027513
N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-1-(2-morpholin-4-ylethyl)-4-oxoquinoline-3-carboxamide
CID 23634778
3,5-dimethyl-N-(pyridin-2-ylmethyl)adamantan-1-amine
CID 4723801
3,5-dimethyl-N-(2-phenylethyl)adamantan-1-amine
CID 17157081
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
2-methyl-2-[(1-propylindol-3-yl)methylamino]propan-1-ol
CID 94074110

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3,5-dimethyl-N-[(1-propylindol-3-yl)methyl]adamantan-1-amine?
The IUPAC name of (3S,5R)-3,5-dimethyl-N-[(1-propylindol-3-yl)methyl]adamantan-1-amine (CID 124805468) is (3S,5R)-3,5-dimethyl-N-[(1-propylindol-3-yl)methyl]adamantan-1-amine.
What is the SMILES notation for (3S,5R)-3,5-dimethyl-N-[(1-propylindol-3-yl)methyl]adamantan-1-amine?
The canonical SMILES for (3S,5R)-3,5-dimethyl-N-[(1-propylindol-3-yl)methyl]adamantan-1-amine is CCCn1cc(CNC23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c2ccccc21.
What is the InChIKey of (3S,5R)-3,5-dimethyl-N-[(1-propylindol-3-yl)methyl]adamantan-1-amine?
The InChIKey is JJXYSQYFYNBKGR-SYQRVOMBSA-N. The full InChI is InChI=1S/C24H34N2/c1-4-9-26-14-19(20-7-5-6-8-21(20)26)13-25-24-12-18-10-22(2,16-24)15-23(3,11-18)17-24/h5-8,14,18,25H,4,9-13,15-17H2,1-3H3/t18?,22-,23+,24?.
What are the key properties of (3S,5R)-3,5-dimethyl-N-[(1-propylindol-3-yl)methyl]adamantan-1-amine?
(3S,5R)-3,5-dimethyl-N-[(1-propylindol-3-yl)methyl]adamantan-1-amine has a molecular weight of 350.55 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3,5-dimethyl-N-[(1-propylindol-3-yl)methyl]adamantan-1-amine is sourced from PubChem (CID 124805468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).