2-[[butan-2-yl(ethyl)amino]methyl]-N,4-dipropylcyclohexan-1-amine

C19H40N2 — CID 63483809

IUPAC2-[[butan-2-yl(ethyl)amino]methyl]-N,4-dipropylcyclohexan-1-amine
SMILESCCCNC1CCC(CCC)CC1CN(CC)C(C)CC
InChIInChI=1S/C19H40N2/c1-6-10-17-11-12-19(20-13-7-2)18(14-17)15-21(9-4)16(5)8-3/h16-20H,6-15H2,1-5H3
InChIKeyYAQVJBVCIWCOPE-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.69
Rot. Bonds10

About 2-[[butan-2-yl(ethyl)amino]methyl]-N,4-dipropylcyclohexan-1-amine

2-[[butan-2-yl(ethyl)amino]methyl]-N,4-dipropylcyclohexan-1-amine (PubChem CID 63483809) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 2-[[butan-2-yl(ethyl)amino]methyl]-N,4-dipropylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[butan-2-yl(ethyl)amino]methyl]-N,4-dipropylcyclohexan-1-amine
PubChem CID63483809
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name2-[[butan-2-yl(ethyl)amino]methyl]-N,4-dipropylcyclohexan-1-amine
SMILESCCCNC1CCC(CCC)CC1CN(CC)C(C)CC
InChIInChI=1S/C19H40N2/c1-6-10-17-11-12-19(20-13-7-2)18(14-17)15-21(9-4)16(5)8-3/h16-20H,6-15H2,1-5H3
InChIKeyYAQVJBVCIWCOPE-UHFFFAOYSA-N
XLogP4.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-amine
CID 82929498
2-[ethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62610130
2-[2-hydroxyethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62610825
2-[[ethyl(2-methoxyethyl)amino]methyl]-N,4-dipropylcyclohexan-1-amine
CID 63495212
2-(2-propoxyethyl)-N,4-dipropylcyclohexan-1-amine
CID 106454487
1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]propan-2-ol
CID 55094762
4-ethyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63483081
2-(3-ethoxypropyl)-N,4-dipropylcyclohexan-1-amine
CID 65180818
2-(diethylaminomethyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 55197305
N-methyl-2-[[methyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-amine
CID 55093934
2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 55094767
2-[[butan-2-yl(butyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 63493052

Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(ethyl)amino]methyl]-N,4-dipropylcyclohexan-1-amine?
The IUPAC name of 2-[[butan-2-yl(ethyl)amino]methyl]-N,4-dipropylcyclohexan-1-amine (CID 63483809) is 2-[[butan-2-yl(ethyl)amino]methyl]-N,4-dipropylcyclohexan-1-amine.
What is the SMILES notation for 2-[[butan-2-yl(ethyl)amino]methyl]-N,4-dipropylcyclohexan-1-amine?
The canonical SMILES for 2-[[butan-2-yl(ethyl)amino]methyl]-N,4-dipropylcyclohexan-1-amine is CCCNC1CCC(CCC)CC1CN(CC)C(C)CC.
What is the InChIKey of 2-[[butan-2-yl(ethyl)amino]methyl]-N,4-dipropylcyclohexan-1-amine?
The InChIKey is YAQVJBVCIWCOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-6-10-17-11-12-19(20-13-7-2)18(14-17)15-21(9-4)16(5)8-3/h16-20H,6-15H2,1-5H3.
What are the key properties of 2-[[butan-2-yl(ethyl)amino]methyl]-N,4-dipropylcyclohexan-1-amine?
2-[[butan-2-yl(ethyl)amino]methyl]-N,4-dipropylcyclohexan-1-amine has a molecular weight of 296.54 g/mol, XLogP of 4.69, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(ethyl)amino]methyl]-N,4-dipropylcyclohexan-1-amine is sourced from PubChem (CID 63483809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).