N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine

C15H29N3O — CID 55215445

IUPACN-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCC1CN(CC2(CNC3CC3)CCOC2)CCN1C
InChIInChI=1S/C15H29N3O/c1-13-9-18(7-6-17(13)2)11-15(5-8-19-12-15)10-16-14-3-4-14/h13-14,16H,3-12H2,1-2H3
InChIKeyUSLRFPJBDYBCEX-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.78
Rot. Bonds5

About N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine

N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 55215445) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID55215445
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCC1CN(CC2(CNC3CC3)CCOC2)CCN1C
InChIInChI=1S/C15H29N3O/c1-13-9-18(7-6-17(13)2)11-15(5-8-19-12-15)10-16-14-3-4-14/h13-14,16H,3-12H2,1-2H3
InChIKeyUSLRFPJBDYBCEX-UHFFFAOYSA-N
XLogP0.78
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methyl]ethanamine
CID 62968455
4-Methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine
CID 66262800
1,4a-Dimethyl-2,4,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]oxazine
CID 19969842
1-[[1-(Methoxymethyl)cyclopropyl]methyl]piperazine
CID 89688423
4-(Methoxymethyl)-1,4-dimethylpyrrolidin-3-amine
CID 148414053
Ethane;4-(methoxymethyl)-4-methylpyrrolidin-3-amine
CID 153402279
(3R)-1-methyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine
CID 167500965
(3S)-1-methyl-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrrolidin-3-amine
CID 167501417
1-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine
CID 167501922
1-methyl-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrrolidin-3-amine
CID 169670014
(3R)-1-methyl-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrrolidin-3-amine
CID 169670020
1-[[1-(Ethoxymethyl)cyclopropyl]methyl]piperazine
CID 176568662

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine (CID 55215445) is N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine is CC1CN(CC2(CNC3CC3)CCOC2)CCN1C.
What is the InChIKey of N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is USLRFPJBDYBCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13-9-18(7-6-17(13)2)11-15(5-8-19-12-15)10-16-14-3-4-14/h13-14,16H,3-12H2,1-2H3.
What are the key properties of N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 267.42 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55215445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).