N-[[1-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine

C18H37N3 — CID 62888333

IUPACN-[[1-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCCC2CN(C)C)CCCCC1
InChIInChI=1S/C18H37N3/c1-4-12-19-15-18(10-6-5-7-11-18)16-21-13-8-9-17(21)14-20(2)3/h17,19H,4-16H2,1-3H3
InChIKeyCQSWQMNSSWDKDF-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.96
Rot. Bonds8

About N-[[1-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine

N-[[1-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine (PubChem CID 62888333) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is N-[[1-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine
PubChem CID62888333
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC NameN-[[1-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCCC2CN(C)C)CCCCC1
InChIInChI=1S/C18H37N3/c1-4-12-19-15-18(10-6-5-7-11-18)16-21-13-8-9-17(21)14-20(2)3/h17,19H,4-16H2,1-3H3
InChIKeyCQSWQMNSSWDKDF-UHFFFAOYSA-N
XLogP2.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine (CID 62888333) is N-[[1-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine is CCCNCC1(CN2CCCC2CN(C)C)CCCCC1.
What is the InChIKey of N-[[1-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine?
The InChIKey is CQSWQMNSSWDKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-4-12-19-15-18(10-6-5-7-11-18)16-21-13-8-9-17(21)14-20(2)3/h17,19H,4-16H2,1-3H3.
What are the key properties of N-[[1-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine?
N-[[1-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 62888333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).