N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C19H30N2 — CID 106604683

IUPACN-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCCN(CC1CCCN1)C1CCc2ccccc2C1
InChIInChI=1S/C19H30N2/c1-2-3-13-21(15-18-9-6-12-20-18)19-11-10-16-7-4-5-8-17(16)14-19/h4-5,7-8,18-20H,2-3,6,9-15H2,1H3
InChIKeyGCWXAVMCFUPECW-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.40
Rot. Bonds6

About N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 106604683) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID106604683
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCCN(CC1CCCN1)C1CCc2ccccc2C1
InChIInChI=1S/C19H30N2/c1-2-3-13-21(15-18-9-6-12-20-18)19-11-10-16-7-4-5-8-17(16)14-19/h4-5,7-8,18-20H,2-3,6,9-15H2,1H3
InChIKeyGCWXAVMCFUPECW-UHFFFAOYSA-N
XLogP3.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 64585394
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N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexanamine
CID 106603994
N-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine
CID 106604985
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 28598118
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 22689623
2-[2,3-dihydro-1H-inden-1-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606505
N-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline
CID 112736831
N-butyl-N-(pyrrolidin-2-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 106604774
N-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979302
4-[propyl(pyrrolidin-2-ylmethyl)amino]azepan-2-one
CID 106615853
N-butyl-N-(pyrrolidin-2-ylmethyl)cyclohex-2-en-1-amine
CID 106616594

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 106604683) is N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is CCCCN(CC1CCCN1)C1CCc2ccccc2C1.
What is the InChIKey of N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is GCWXAVMCFUPECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-2-3-13-21(15-18-9-6-12-20-18)19-11-10-16-7-4-5-8-17(16)14-19/h4-5,7-8,18-20H,2-3,6,9-15H2,1H3.
What are the key properties of N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 286.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 106604683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).