4-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-methylbutan-2-ol

C15H33N3O — CID 79361063

IUPAC4-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-methylbutan-2-ol
SMILESCCC(CCN)N1CCCN(CCC(C)(C)O)CC1
InChIInChI=1S/C15H33N3O/c1-4-14(6-8-16)18-10-5-9-17(12-13-18)11-7-15(2,3)19/h14,19H,4-13,16H2,1-3H3
InChIKeyJEOXAZCHJVOXGL-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.28
Rot. Bonds7

About 4-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-methylbutan-2-ol

4-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-methylbutan-2-ol (PubChem CID 79361063) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 4-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-methylbutan-2-ol
PubChem CID79361063
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name4-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-methylbutan-2-ol
SMILESCCC(CCN)N1CCCN(CCC(C)(C)O)CC1
InChIInChI=1S/C15H33N3O/c1-4-14(6-8-16)18-10-5-9-17(12-13-18)11-7-15(2,3)19/h14,19H,4-13,16H2,1-3H3
InChIKeyJEOXAZCHJVOXGL-UHFFFAOYSA-N
XLogP1.28
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-methylbutan-2-ol (CID 79361063) is 4-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-methylbutan-2-ol is CCC(CCN)N1CCCN(CCC(C)(C)O)CC1.
What is the InChIKey of 4-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-methylbutan-2-ol?
The InChIKey is JEOXAZCHJVOXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-4-14(6-8-16)18-10-5-9-17(12-13-18)11-7-15(2,3)19/h14,19H,4-13,16H2,1-3H3.
What are the key properties of 4-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-methylbutan-2-ol?
4-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-methylbutan-2-ol has a molecular weight of 271.45 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 79361063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).