N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide

C12H23N3O — CID 62839573

IUPACN-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide
SMILESCN(CC1CC1)C(=O)CN1CCCNCC1
InChIInChI=1S/C12H23N3O/c1-14(9-11-3-4-11)12(16)10-15-7-2-5-13-6-8-15/h11,13H,2-10H2,1H3
InChIKeyJSIGIZYVPMFRTE-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.15
Rot. Bonds4

About N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide

N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide (PubChem CID 62839573) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide
PubChem CID62839573
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide
SMILESCN(CC1CC1)C(=O)CN1CCCNCC1
InChIInChI=1S/C12H23N3O/c1-14(9-11-3-4-11)12(16)10-15-7-2-5-13-6-8-15/h11,13H,2-10H2,1H3
InChIKeyJSIGIZYVPMFRTE-UHFFFAOYSA-N
XLogP0.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide (CID 62839573) is N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide is CN(CC1CC1)C(=O)CN1CCCNCC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide?
The InChIKey is JSIGIZYVPMFRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-14(9-11-3-4-11)12(16)10-15-7-2-5-13-6-8-15/h11,13H,2-10H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide?
N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide has a molecular weight of 225.34 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide is sourced from PubChem (CID 62839573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).