N-tert-butyl-N-methyl-4-(1-methylindol-4-yl)pentan-1-amine

C19H30N2 — CID 58313534

IUPACN-tert-butyl-N-methyl-4-(1-methylindol-4-yl)pentan-1-amine
SMILESCC(CCCN(C)C(C)(C)C)c1cccc2c1ccn2C
InChIInChI=1S/C19H30N2/c1-15(9-8-13-21(6)19(2,3)4)16-10-7-11-18-17(16)12-14-20(18)5/h7,10-12,14-15H,8-9,13H2,1-6H3
InChIKeyCBKDKGPVKYUJFY-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.79
Rot. Bonds5

About N-tert-butyl-N-methyl-4-(1-methylindol-4-yl)pentan-1-amine

N-tert-butyl-N-methyl-4-(1-methylindol-4-yl)pentan-1-amine (PubChem CID 58313534) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-4-(1-methylindol-4-yl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-4-(1-methylindol-4-yl)pentan-1-amine
PubChem CID58313534
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-tert-butyl-N-methyl-4-(1-methylindol-4-yl)pentan-1-amine
SMILESCC(CCCN(C)C(C)(C)C)c1cccc2c1ccn2C
InChIInChI=1S/C19H30N2/c1-15(9-8-13-21(6)19(2,3)4)16-10-7-11-18-17(16)12-14-20(18)5/h7,10-12,14-15H,8-9,13H2,1-6H3
InChIKeyCBKDKGPVKYUJFY-UHFFFAOYSA-N
XLogP4.79
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-N-methyl-4-(1-methylindol-7-yl)pentan-1-amine
CID 58313645
N-methyl-1-(1-methylindol-4-yl)ethanamine
CID 115106916
N,N-dimethyl-2-[3-methyl-3-(1-methylindol-4-yl)butan-2-yl]aniline
CID 131990127
4-(2,2-dimethylpropyl)-1-methylindole
CID 69029951
N-tert-butyl-4-(4-methoxypyrimidin-5-yl)-N-methylpentan-1-amine
CID 58313531
methyl 2-(1-methylindol-4-yl)propanoate
CID 102374940
1-N-methyl-1-N-(1-methylindol-3-yl)pentane-1,4-diamine
CID 115203715
3-(1-methylindol-7-yl)butan-1-amine
CID 82608277
4-chloro-1-methylindole;ethane
CID 142062846
1-methyl-4-propylindole
CID 59939717
6-(1-methylindol-3-yl)heptanoic acid
CID 112512728
(1-methylindol-4-yl) N-butyl-N-methylcarbamate
CID 71536003

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-4-(1-methylindol-4-yl)pentan-1-amine?
The IUPAC name of N-tert-butyl-N-methyl-4-(1-methylindol-4-yl)pentan-1-amine (CID 58313534) is N-tert-butyl-N-methyl-4-(1-methylindol-4-yl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-N-methyl-4-(1-methylindol-4-yl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-N-methyl-4-(1-methylindol-4-yl)pentan-1-amine is CC(CCCN(C)C(C)(C)C)c1cccc2c1ccn2C.
What is the InChIKey of N-tert-butyl-N-methyl-4-(1-methylindol-4-yl)pentan-1-amine?
The InChIKey is CBKDKGPVKYUJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15(9-8-13-21(6)19(2,3)4)16-10-7-11-18-17(16)12-14-20(18)5/h7,10-12,14-15H,8-9,13H2,1-6H3.
What are the key properties of N-tert-butyl-N-methyl-4-(1-methylindol-4-yl)pentan-1-amine?
N-tert-butyl-N-methyl-4-(1-methylindol-4-yl)pentan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-4-(1-methylindol-4-yl)pentan-1-amine is sourced from PubChem (CID 58313534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).