2-methyl-3-[(1-propylazepan-4-yl)amino]propan-1-ol

C13H28N2O — CID 65078153

IUPAC2-methyl-3-[(1-propylazepan-4-yl)amino]propan-1-ol
SMILESCCCN1CCCC(NCC(C)CO)CC1
InChIInChI=1S/C13H28N2O/c1-3-7-15-8-4-5-13(6-9-15)14-10-12(2)11-16/h12-14,16H,3-11H2,1-2H3
InChIKeyQLZCTCYBTOCAKR-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.47
Rot. Bonds6

About 2-methyl-3-[(1-propylazepan-4-yl)amino]propan-1-ol

2-methyl-3-[(1-propylazepan-4-yl)amino]propan-1-ol (PubChem CID 65078153) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-methyl-3-[(1-propylazepan-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(1-propylazepan-4-yl)amino]propan-1-ol
PubChem CID65078153
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-methyl-3-[(1-propylazepan-4-yl)amino]propan-1-ol
SMILESCCCN1CCCC(NCC(C)CO)CC1
InChIInChI=1S/C13H28N2O/c1-3-7-15-8-4-5-13(6-9-15)14-10-12(2)11-16/h12-14,16H,3-11H2,1-2H3
InChIKeyQLZCTCYBTOCAKR-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[(1-propylazepan-4-yl)amino]butan-1-ol
CID 66089662
2-N,2-N-dimethyl-1-N-(1-propylazepan-4-yl)propane-1,2-diamine
CID 65073378
N-(2-methoxypropyl)-1-propylazepan-4-amine
CID 102696547
N-methyl-1-propylazepan-4-amine
CID 65072873
4-methyl-1-[(1-propylpiperidin-4-yl)amino]pentan-2-ol
CID 103779663
2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol
CID 65034212
N'-methyl-N'-propan-2-yl-N-(1-propylazepan-4-yl)ethane-1,2-diamine
CID 65078082
2-methyl-3-[(4-methylcycloheptyl)amino]propan-1-ol
CID 65079742
[1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexyl]methanol
CID 103965937
N-(2-methylsulfinylpropyl)-1-propylpiperidin-4-amine
CID 115901563
1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol
CID 65107383
3-methyl-2-[(1-propylazepan-4-yl)amino]butanoic acid
CID 65073293

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-propylazepan-4-yl)amino]propan-1-ol?
The IUPAC name of 2-methyl-3-[(1-propylazepan-4-yl)amino]propan-1-ol (CID 65078153) is 2-methyl-3-[(1-propylazepan-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[(1-propylazepan-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-methyl-3-[(1-propylazepan-4-yl)amino]propan-1-ol is CCCN1CCCC(NCC(C)CO)CC1.
What is the InChIKey of 2-methyl-3-[(1-propylazepan-4-yl)amino]propan-1-ol?
The InChIKey is QLZCTCYBTOCAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-7-15-8-4-5-13(6-9-15)14-10-12(2)11-16/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 2-methyl-3-[(1-propylazepan-4-yl)amino]propan-1-ol?
2-methyl-3-[(1-propylazepan-4-yl)amino]propan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-propylazepan-4-yl)amino]propan-1-ol is sourced from PubChem (CID 65078153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).