2-amino-2-cyclopropyl-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one

C16H29N3O2 — CID 60963202

IUPAC2-amino-2-cyclopropyl-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one
SMILESCC(N)(C(=O)N1CCCN(CC2CCCO2)CC1)C1CC1
InChIInChI=1S/C16H29N3O2/c1-16(17,13-5-6-13)15(20)19-8-3-7-18(9-10-19)12-14-4-2-11-21-14/h13-14H,2-12,17H2,1H3
InChIKeyBTKNSPKXNUEDNS-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.83
Rot. Bonds4

About 2-amino-2-cyclopropyl-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one

2-amino-2-cyclopropyl-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one (PubChem CID 60963202) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one
PubChem CID60963202
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-amino-2-cyclopropyl-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one
SMILESCC(N)(C(=O)N1CCCN(CC2CCCO2)CC1)C1CC1
InChIInChI=1S/C16H29N3O2/c1-16(17,13-5-6-13)15(20)19-8-3-7-18(9-10-19)12-14-4-2-11-21-14/h13-14H,2-12,17H2,1H3
InChIKeyBTKNSPKXNUEDNS-UHFFFAOYSA-N
XLogP0.83
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-cyclopropyl-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

2,2,2-trifluoro-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 63198975
(2R)-2-amino-3,3-dimethyl-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]butan-1-one
CID 103929357
2-bromo-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one
CID 114014436
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869581
2-amino-N-[2-oxo-2-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]acetamide
CID 60963316
2-(cyclopropylmethylamino)-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 60963080
2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869583
2-amino-2-cyclopropyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60964191
(3-aminocyclopentyl)-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 66008772
(2S)-2-methyl-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]butan-1-one
CID 94811730
1-[5-[4-(oxolan-2-ylmethyl)-1,4-diazepane-1-carbonyl]thiophen-2-yl]ethanone
CID 51078708

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one?
The IUPAC name of 2-amino-2-cyclopropyl-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one (CID 60963202) is 2-amino-2-cyclopropyl-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-2-cyclopropyl-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one?
The canonical SMILES for 2-amino-2-cyclopropyl-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one is CC(N)(C(=O)N1CCCN(CC2CCCO2)CC1)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one?
The InChIKey is BTKNSPKXNUEDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-16(17,13-5-6-13)15(20)19-8-3-7-18(9-10-19)12-14-4-2-11-21-14/h13-14H,2-12,17H2,1H3.
What are the key properties of 2-amino-2-cyclopropyl-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one?
2-amino-2-cyclopropyl-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one has a molecular weight of 295.43 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one is sourced from PubChem (CID 60963202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).