[1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexyl]methanol

C16H33N3O — CID 79640639

IUPAC[1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexyl]methanol
SMILESCCNC1(CO)CCCC(N(C)CC2CCCN2C)C1
InChIInChI=1S/C16H33N3O/c1-4-17-16(13-20)9-5-7-14(11-16)19(3)12-15-8-6-10-18(15)2/h14-15,17,20H,4-13H2,1-3H3
InChIKeyQXNQGJDZZRHYFB-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.30
Rot. Bonds6

About [1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexyl]methanol

[1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexyl]methanol (PubChem CID 79640639) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is [1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexyl]methanol
PubChem CID79640639
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name[1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexyl]methanol
SMILESCCNC1(CO)CCCC(N(C)CC2CCCN2C)C1
InChIInChI=1S/C16H33N3O/c1-4-17-16(13-20)9-5-7-14(11-16)19(3)12-15-8-6-10-18(15)2/h14-15,17,20H,4-13H2,1-3H3
InChIKeyQXNQGJDZZRHYFB-UHFFFAOYSA-N
XLogP1.30
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclopentyl]methanol
CID 79644725
1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxamide
CID 79633998
[1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclopentyl]methanol
CID 79644475
[1-(ethylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexyl]methanol
CID 79635686
[1-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentyl]methanol
CID 79656509
[1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexyl]methanol
CID 79641023
[1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclohexyl]methanol
CID 79633807
[1-(ethylamino)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]cyclopentyl]methanol
CID 79656265
[1-(ethylamino)-3-[methyl(oxan-4-yl)amino]cyclohexyl]methanol
CID 79641104
[1-(ethylamino)-3-[methyl(pentan-2-yl)amino]cyclohexyl]methanol
CID 79640702
[1-(ethylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]cyclopentyl]methanol
CID 79656682
[3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635385

Frequently Asked Questions

What is the IUPAC name of [1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexyl]methanol?
The IUPAC name of [1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexyl]methanol (CID 79640639) is [1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexyl]methanol.
What is the SMILES notation for [1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexyl]methanol?
The canonical SMILES for [1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexyl]methanol is CCNC1(CO)CCCC(N(C)CC2CCCN2C)C1.
What is the InChIKey of [1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexyl]methanol?
The InChIKey is QXNQGJDZZRHYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-4-17-16(13-20)9-5-7-14(11-16)19(3)12-15-8-6-10-18(15)2/h14-15,17,20H,4-13H2,1-3H3.
What are the key properties of [1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexyl]methanol?
[1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexyl]methanol has a molecular weight of 283.46 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexyl]methanol is sourced from PubChem (CID 79640639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).