3-amino-3-cyclopropyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol

C12H25N3O — CID 114356519

IUPAC3-amino-3-cyclopropyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol
SMILESCN1CCCN(C(CO)C(N)C2CC2)CC1
InChIInChI=1S/C12H25N3O/c1-14-5-2-6-15(8-7-14)11(9-16)12(13)10-3-4-10/h10-12,16H,2-9,13H2,1H3
InChIKeyHRASSCSKYISJTF-UHFFFAOYSA-N
MW227.35 g/mol
LogP-0.28
Rot. Bonds4

About 3-amino-3-cyclopropyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol

3-amino-3-cyclopropyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol (PubChem CID 114356519) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol
PubChem CID114356519
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-amino-3-cyclopropyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol
SMILESCN1CCCN(C(CO)C(N)C2CC2)CC1
InChIInChI=1S/C12H25N3O/c1-14-5-2-6-15(8-7-14)11(9-16)12(13)10-3-4-10/h10-12,16H,2-9,13H2,1H3
InChIKeyHRASSCSKYISJTF-UHFFFAOYSA-N
XLogP-0.28
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(4-methyl-1,4-diazepan-1-yl)pentan-1-ol
CID 104840298
3-amino-2-(4-tert-butylpiperazin-1-yl)-3-cyclopropylpropan-1-ol
CID 114356855
3-amino-3-cyclopropyl-2-(4-propylazepan-1-yl)propan-1-ol
CID 114357358
3-amino-2-(4-methylpiperazin-1-yl)hexan-1-ol
CID 114356433
3-amino-4-methoxy-2-(4-methylpiperazin-1-yl)butan-1-ol
CID 114356429
3-amino-3-cyclopropyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol
CID 114356481
2-cyclopropyl-2-(4-methylpiperazin-1-yl)acetic acid
CID 65419887
1-[cyclopropyl-(4-methylpiperazin-1-yl)methyl]cyclopropan-1-amine
CID 84734404
1,4,8,12-tetramethyl-1,4,8,12-tetrazacyclopentadecane
CID 15198794
1,4,7-trimethyl-1,4,7-triazecane
CID 15461213
3-amino-2-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103495144
(1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol
CID 143640316

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol?
The IUPAC name of 3-amino-3-cyclopropyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol (CID 114356519) is 3-amino-3-cyclopropyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol.
What is the SMILES notation for 3-amino-3-cyclopropyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol?
The canonical SMILES for 3-amino-3-cyclopropyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol is CN1CCCN(C(CO)C(N)C2CC2)CC1.
What is the InChIKey of 3-amino-3-cyclopropyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol?
The InChIKey is HRASSCSKYISJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-14-5-2-6-15(8-7-14)11(9-16)12(13)10-3-4-10/h10-12,16H,2-9,13H2,1H3.
What are the key properties of 3-amino-3-cyclopropyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol?
3-amino-3-cyclopropyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol has a molecular weight of 227.35 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol is sourced from PubChem (CID 114356519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).