N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine

C18H28N2 — CID 63772288

IUPACN-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCN1CC1CCCc2ccccc21
InChIInChI=1S/C18H28N2/c1-2-19-13-17-10-6-12-20(17)14-16-9-5-8-15-7-3-4-11-18(15)16/h3-4,7,11,16-17,19H,2,5-6,8-10,12-14H2,1H3
InChIKeyPMXPDDRJRDPPNK-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.18
Rot. Bonds5

About N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine

N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine (PubChem CID 63772288) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
PubChem CID63772288
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCN1CC1CCCc2ccccc21
InChIInChI=1S/C18H28N2/c1-2-19-13-17-10-6-12-20(17)14-16-9-5-8-15-7-3-4-11-18(15)16/h3-4,7,11,16-17,19H,2,5-6,8-10,12-14H2,1H3
InChIKeyPMXPDDRJRDPPNK-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-2-yl]methanamine
CID 63771773
N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 63772800
N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 79220883
N-[(1-methylpyrrolidin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 106025341
N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 79230189
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
CID 94499350
N-[[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 66419323
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63897806
1-(ethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116562462
N-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]ethanamine
CID 63854126
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
CID 55092410
N-ethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-3-en-1-amine
CID 79590299

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine (CID 63772288) is N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine is CCNCC1CCCN1CC1CCCc2ccccc21.
What is the InChIKey of N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is PMXPDDRJRDPPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-19-13-17-10-6-12-20(17)14-16-9-5-8-15-7-3-4-11-18(15)16/h3-4,7,11,16-17,19H,2,5-6,8-10,12-14H2,1H3.
What are the key properties of N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine?
N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine has a molecular weight of 272.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 63772288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).