2-cyclopropyl-2-(ethylamino)-3-(4-propylazepan-1-yl)propan-1-ol

C17H34N2O — CID 64809169

IUPAC2-cyclopropyl-2-(ethylamino)-3-(4-propylazepan-1-yl)propan-1-ol
SMILESCCCC1CCCN(CC(CO)(NCC)C2CC2)CC1
InChIInChI=1S/C17H34N2O/c1-3-6-15-7-5-11-19(12-10-15)13-17(14-20,18-4-2)16-8-9-16/h15-16,18,20H,3-14H2,1-2H3
InChIKeyLZPRZPBADDQPMA-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.64
Rot. Bonds8

About 2-cyclopropyl-2-(ethylamino)-3-(4-propylazepan-1-yl)propan-1-ol

2-cyclopropyl-2-(ethylamino)-3-(4-propylazepan-1-yl)propan-1-ol (PubChem CID 64809169) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-(4-propylazepan-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-(4-propylazepan-1-yl)propan-1-ol
PubChem CID64809169
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-(4-propylazepan-1-yl)propan-1-ol
SMILESCCCC1CCCN(CC(CO)(NCC)C2CC2)CC1
InChIInChI=1S/C17H34N2O/c1-3-6-15-7-5-11-19(12-10-15)13-17(14-20,18-4-2)16-8-9-16/h15-16,18,20H,3-14H2,1-2H3
InChIKeyLZPRZPBADDQPMA-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol
CID 64796232
2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)-2-(ethylamino)propan-1-ol
CID 64790214
2-cyclopropyl-3-(3-ethylpiperidin-1-yl)-2-(methylamino)propan-1-ol
CID 64795789
2-cyclopropyl-2-(ethylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol
CID 102746414
1-(3-bromo-2,2-dimethylpropyl)-4-propylazepane
CID 64997751
2-cyclopropyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol
CID 64790053
2-cyclopropyl-2-(ethylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-ol
CID 64790209
2-amino-2-methyl-3-(4-propylpiperidin-1-yl)propan-1-ol
CID 64786452
2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
CID 103504047
2-(ethylamino)-2-methyl-3-(4-propylpiperidin-1-yl)propanamide
CID 62204355
1-(cyclohexylmethyl)-4-propylazepane
CID 70936958
3-(azepan-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
CID 64798444

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(4-propylazepan-1-yl)propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(4-propylazepan-1-yl)propan-1-ol (CID 64809169) is 2-cyclopropyl-2-(ethylamino)-3-(4-propylazepan-1-yl)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-(4-propylazepan-1-yl)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-(4-propylazepan-1-yl)propan-1-ol is CCCC1CCCN(CC(CO)(NCC)C2CC2)CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-(4-propylazepan-1-yl)propan-1-ol?
The InChIKey is LZPRZPBADDQPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-6-15-7-5-11-19(12-10-15)13-17(14-20,18-4-2)16-8-9-16/h15-16,18,20H,3-14H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-(4-propylazepan-1-yl)propan-1-ol?
2-cyclopropyl-2-(ethylamino)-3-(4-propylazepan-1-yl)propan-1-ol has a molecular weight of 282.47 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-(4-propylazepan-1-yl)propan-1-ol is sourced from PubChem (CID 64809169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).