2-methyl-N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine

C17H34N2 — CID 63243856

IUPAC2-methyl-N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC1CCC(CN2CCC(CNC(C)(C)C)C2)CC1
InChIInChI=1S/C17H34N2/c1-14-5-7-15(8-6-14)12-19-10-9-16(13-19)11-18-17(2,3)4/h14-16,18H,5-13H2,1-4H3
InChIKeyMYSQJQIWYBCEKM-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.52
Rot. Bonds4

About 2-methyl-N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine

2-methyl-N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 63243856) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-methyl-N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID63243856
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-methyl-N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC1CCC(CN2CCC(CNC(C)(C)C)C2)CC1
InChIInChI=1S/C17H34N2/c1-14-5-7-15(8-6-14)12-19-10-9-16(13-19)11-18-17(2,3)4/h14-16,18H,5-13H2,1-4H3
InChIKeyMYSQJQIWYBCEKM-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 63243855
N-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine
CID 62512541
1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511549
2-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513718
2-methyl-N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593638
2-methyl-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62511581
N-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512373
N-[[1-[3-(dimethylamino)propyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512405
1-(cyclopropylmethyl)-3-methylpyrrolidine
CID 66698418
N-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 94464287
1-(cyclopropylmethyl)-4-methylpiperidine
CID 54039585
1-[1-[(4-ethylcyclohexyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62513783

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine (CID 63243856) is 2-methyl-N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine is CC1CCC(CN2CCC(CNC(C)(C)C)C2)CC1.
What is the InChIKey of 2-methyl-N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is MYSQJQIWYBCEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-14-5-7-15(8-6-14)12-19-10-9-16(13-19)11-18-17(2,3)4/h14-16,18H,5-13H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine?
2-methyl-N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 266.47 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63243856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).