1-cyclopentyloxy-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol

C14H30N2O2 — CID 54963637

IUPAC1-cyclopentyloxy-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol
SMILESCC(CCN(C)C)NCC(O)COC1CCCC1
InChIInChI=1S/C14H30N2O2/c1-12(8-9-16(2)3)15-10-13(17)11-18-14-6-4-5-7-14/h12-15,17H,4-11H2,1-3H3
InChIKeyNNVPXEPCPSUUHK-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.24
Rot. Bonds9

About 1-cyclopentyloxy-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol

1-cyclopentyloxy-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol (PubChem CID 54963637) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyloxy-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol
PubChem CID54963637
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name1-cyclopentyloxy-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol
SMILESCC(CCN(C)C)NCC(O)COC1CCCC1
InChIInChI=1S/C14H30N2O2/c1-12(8-9-16(2)3)15-10-13(17)11-18-14-6-4-5-7-14/h12-15,17H,4-11H2,1-3H3
InChIKeyNNVPXEPCPSUUHK-UHFFFAOYSA-N
XLogP1.24
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclopentyloxy-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]butan-1-ol
CID 83178126
1-cyclohexyloxy-3-(hexan-2-ylamino)propan-2-ol
CID 55049964
1-cyclopentyl-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol
CID 103157536
2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N,N-dimethylpropanamide
CID 54950826
1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol
CID 60634369
1-(4-methylcyclohexyl)oxy-3-(5-methylhexan-2-ylamino)propan-2-ol
CID 60634451
1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol
CID 81391866
1-(hexan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62200592
2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide
CID 103108529
1-cyclopentyloxy-3-[2-[ethyl(methyl)amino]ethylamino]propan-2-ol
CID 62636791
ethyl 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]propanoate
CID 54960187
1-cyclopentyloxy-3-(octan-4-ylamino)propan-2-ol
CID 106024420

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol?
The IUPAC name of 1-cyclopentyloxy-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol (CID 54963637) is 1-cyclopentyloxy-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyloxy-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol?
The canonical SMILES for 1-cyclopentyloxy-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol is CC(CCN(C)C)NCC(O)COC1CCCC1.
What is the InChIKey of 1-cyclopentyloxy-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol?
The InChIKey is NNVPXEPCPSUUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-12(8-9-16(2)3)15-10-13(17)11-18-14-6-4-5-7-14/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 1-cyclopentyloxy-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol?
1-cyclopentyloxy-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol has a molecular weight of 258.41 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol is sourced from PubChem (CID 54963637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).