4-[cyclopentylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutan-1-ol

C14H30N2O — CID 64787817

IUPAC4-[cyclopentylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutan-1-ol
SMILESCCNC(C)(CO)CCN(C)CC1CCCC1
InChIInChI=1S/C14H30N2O/c1-4-15-14(2,12-17)9-10-16(3)11-13-7-5-6-8-13/h13,15,17H,4-12H2,1-3H3
InChIKeyUBTXXERYWVNEPT-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.86
Rot. Bonds8

About 4-[cyclopentylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutan-1-ol

4-[cyclopentylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutan-1-ol (PubChem CID 64787817) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-[cyclopentylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name4-[cyclopentylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutan-1-ol
PubChem CID64787817
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name4-[cyclopentylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutan-1-ol
SMILESCCNC(C)(CO)CCN(C)CC1CCCC1
InChIInChI=1S/C14H30N2O/c1-4-15-14(2,12-17)9-10-16(3)11-13-7-5-6-8-13/h13,15,17H,4-12H2,1-3H3
InChIKeyUBTXXERYWVNEPT-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpropan-1-ol
CID 64786271
5-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentan-1-ol
CID 64787636
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64825256
4-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64787804
4-[cyclopropyl(cyclopropylmethyl)amino]-2-(ethylamino)-2-methylbutan-1-ol
CID 64811479
2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pentan-1-ol
CID 64788799
3-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64787635
3-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64826426
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 64791463
2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutan-1-ol
CID 64787239
2-(ethylamino)-2-methyl-4-[methyl(pentyl)amino]butan-1-ol
CID 64796168
4-(cyclopentylmethoxy)-2-(ethylamino)-2-methylbutan-1-ol
CID 66324226

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutan-1-ol?
The IUPAC name of 4-[cyclopentylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutan-1-ol (CID 64787817) is 4-[cyclopentylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 4-[cyclopentylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutan-1-ol?
The canonical SMILES for 4-[cyclopentylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutan-1-ol is CCNC(C)(CO)CCN(C)CC1CCCC1.
What is the InChIKey of 4-[cyclopentylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutan-1-ol?
The InChIKey is UBTXXERYWVNEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-15-14(2,12-17)9-10-16(3)11-13-7-5-6-8-13/h13,15,17H,4-12H2,1-3H3.
What are the key properties of 4-[cyclopentylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutan-1-ol?
4-[cyclopentylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 64787817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).