2-[cyclopropyl-[4,4-dimethyl-3-(propylamino)pentyl]amino]ethanol

C15H32N2O — CID 62622852

IUPAC2-[cyclopropyl-[4,4-dimethyl-3-(propylamino)pentyl]amino]ethanol
SMILESCCCNC(CCN(CCO)C1CC1)C(C)(C)C
InChIInChI=1S/C15H32N2O/c1-5-9-16-14(15(2,3)4)8-10-17(11-12-18)13-6-7-13/h13-14,16,18H,5-12H2,1-4H3
InChIKeyGHRNPCFLQQBJDX-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.25
Rot. Bonds9

About 2-[cyclopropyl-[4,4-dimethyl-3-(propylamino)pentyl]amino]ethanol

2-[cyclopropyl-[4,4-dimethyl-3-(propylamino)pentyl]amino]ethanol (PubChem CID 62622852) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-[cyclopropyl-[4,4-dimethyl-3-(propylamino)pentyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[4,4-dimethyl-3-(propylamino)pentyl]amino]ethanol
PubChem CID62622852
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-[cyclopropyl-[4,4-dimethyl-3-(propylamino)pentyl]amino]ethanol
SMILESCCCNC(CCN(CCO)C1CC1)C(C)(C)C
InChIInChI=1S/C15H32N2O/c1-5-9-16-14(15(2,3)4)8-10-17(11-12-18)13-6-7-13/h13-14,16,18H,5-12H2,1-4H3
InChIKeyGHRNPCFLQQBJDX-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(cyclobutylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 62861204
2-[cyclobutyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol
CID 102870900
1-[[4,4-dimethyl-3-(propylamino)pentyl]-methylamino]propan-2-ol
CID 62623379
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 63682707
1-N-cyclopropyl-1-N-ethyl-3-N,4,4-trimethylpentane-1,3-diamine
CID 62624071
4-[cyclopropyl(3-methylbutyl)amino]-3-(propylamino)butan-1-ol
CID 79001448
2-[cyclohexyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol
CID 66455597
1-[cyclopentyl(2-hydroxyethyl)amino]-4,4-dimethylpentan-3-ol
CID 62624115
1-N-[3-(dimethylamino)propyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 63699837
1-N-cyclopropyl-2-N-ethyl-3,3-dimethyl-1-N-(3-methylbutyl)butane-1,2-diamine
CID 78976660
2-[cyclopropyl-[3-methyl-2-(propylamino)pentan-3-yl]amino]ethanol
CID 114274826
2-[1-[4,4-dimethyl-3-(propylamino)pentyl]pyrrolidin-3-yl]ethanol
CID 114800100

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[4,4-dimethyl-3-(propylamino)pentyl]amino]ethanol?
The IUPAC name of 2-[cyclopropyl-[4,4-dimethyl-3-(propylamino)pentyl]amino]ethanol (CID 62622852) is 2-[cyclopropyl-[4,4-dimethyl-3-(propylamino)pentyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-[4,4-dimethyl-3-(propylamino)pentyl]amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-[4,4-dimethyl-3-(propylamino)pentyl]amino]ethanol is CCCNC(CCN(CCO)C1CC1)C(C)(C)C.
What is the InChIKey of 2-[cyclopropyl-[4,4-dimethyl-3-(propylamino)pentyl]amino]ethanol?
The InChIKey is GHRNPCFLQQBJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-9-16-14(15(2,3)4)8-10-17(11-12-18)13-6-7-13/h13-14,16,18H,5-12H2,1-4H3.
What are the key properties of 2-[cyclopropyl-[4,4-dimethyl-3-(propylamino)pentyl]amino]ethanol?
2-[cyclopropyl-[4,4-dimethyl-3-(propylamino)pentyl]amino]ethanol has a molecular weight of 256.43 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[4,4-dimethyl-3-(propylamino)pentyl]amino]ethanol is sourced from PubChem (CID 62622852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).