N,3,3-trimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine

C18H38N2 — CID 63494958

IUPACN,3,3-trimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine
SMILESCCCNCC1(CN(C)C(C)C(C)(C)C)CCCCC1
InChIInChI=1S/C18H38N2/c1-7-13-19-14-18(11-9-8-10-12-18)15-20(6)16(2)17(3,4)5/h16,19H,7-15H2,1-6H3
InChIKeyXESXLILEZRDIFT-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.30
Rot. Bonds7

About N,3,3-trimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine

N,3,3-trimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine (PubChem CID 63494958) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is N,3,3-trimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine
PubChem CID63494958
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC NameN,3,3-trimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine
SMILESCCCNCC1(CN(C)C(C)C(C)(C)C)CCCCC1
InChIInChI=1S/C18H38N2/c1-7-13-19-14-18(11-9-8-10-12-18)15-20(6)16(2)17(3,4)5/h16,19H,7-15H2,1-6H3
InChIKeyXESXLILEZRDIFT-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,3,3-trimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine?
The IUPAC name of N,3,3-trimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine (CID 63494958) is N,3,3-trimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine?
The canonical SMILES for N,3,3-trimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine is CCCNCC1(CN(C)C(C)C(C)(C)C)CCCCC1.
What is the InChIKey of N,3,3-trimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine?
The InChIKey is XESXLILEZRDIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-7-13-19-14-18(11-9-8-10-12-18)15-20(6)16(2)17(3,4)5/h16,19H,7-15H2,1-6H3.
What are the key properties of N,3,3-trimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine?
N,3,3-trimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine has a molecular weight of 282.52 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine is sourced from PubChem (CID 63494958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).