1-[1-[(4-ethylcyclohexyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine

C15H30N2 — CID 62513783

IUPAC1-[1-[(4-ethylcyclohexyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
SMILESCCC1CCC(CN2CCC(CNC)C2)CC1
InChIInChI=1S/C15H30N2/c1-3-13-4-6-14(7-5-13)11-17-9-8-15(12-17)10-16-2/h13-16H,3-12H2,1-2H3
InChIKeyBXUCDYOYTWTDEQ-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.74
Rot. Bonds5

About 1-[1-[(4-ethylcyclohexyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine

1-[1-[(4-ethylcyclohexyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 62513783) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-[1-[(4-ethylcyclohexyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(4-ethylcyclohexyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID62513783
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-[1-[(4-ethylcyclohexyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
SMILESCCC1CCC(CN2CCC(CNC)C2)CC1
InChIInChI=1S/C15H30N2/c1-3-13-4-6-14(7-5-13)11-17-9-8-15(12-17)10-16-2/h13-16H,3-12H2,1-2H3
InChIKeyBXUCDYOYTWTDEQ-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511549
1-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511607
1-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 42254173
3-ethyl-1-[(4-ethylcyclohexyl)methyl]azetidine
CID 130320709
ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 166157734
3-[(4-ethylpiperidin-1-yl)methyl]-N-methylcyclopentan-1-amine
CID 164846388
4-[(3-ethylazetidin-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 155331377
N-methyl-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanamine
CID 156720132
N-methyl-1-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62512958
N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 63243855
1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine
CID 167550394
N-methyl-1-[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methanamine
CID 102906426

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-ethylcyclohexyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(4-ethylcyclohexyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine (CID 62513783) is 1-[1-[(4-ethylcyclohexyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(4-ethylcyclohexyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(4-ethylcyclohexyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine is CCC1CCC(CN2CCC(CNC)C2)CC1.
What is the InChIKey of 1-[1-[(4-ethylcyclohexyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is BXUCDYOYTWTDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-13-4-6-14(7-5-13)11-17-9-8-15(12-17)10-16-2/h13-16H,3-12H2,1-2H3.
What are the key properties of 1-[1-[(4-ethylcyclohexyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine?
1-[1-[(4-ethylcyclohexyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 238.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-ethylcyclohexyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62513783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).