N-[2-(3,4-dimethylpiperazin-1-yl)-3-methoxypropyl]cyclopropanamine

C13H27N3O — CID 103226570

IUPACN-[2-(3,4-dimethylpiperazin-1-yl)-3-methoxypropyl]cyclopropanamine
SMILESCOCC(CNC1CC1)N1CCN(C)C(C)C1
InChIInChI=1S/C13H27N3O/c1-11-9-16(7-6-15(11)2)13(10-17-3)8-14-12-4-5-12/h11-14H,4-10H2,1-3H3
InChIKeyMLBHTBUCJSCDQQ-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.39
Rot. Bonds6

About N-[2-(3,4-dimethylpiperazin-1-yl)-3-methoxypropyl]cyclopropanamine

N-[2-(3,4-dimethylpiperazin-1-yl)-3-methoxypropyl]cyclopropanamine (PubChem CID 103226570) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[2-(3,4-dimethylpiperazin-1-yl)-3-methoxypropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3,4-dimethylpiperazin-1-yl)-3-methoxypropyl]cyclopropanamine
PubChem CID103226570
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-[2-(3,4-dimethylpiperazin-1-yl)-3-methoxypropyl]cyclopropanamine
SMILESCOCC(CNC1CC1)N1CCN(C)C(C)C1
InChIInChI=1S/C13H27N3O/c1-11-9-16(7-6-15(11)2)13(10-17-3)8-14-12-4-5-12/h11-14H,4-10H2,1-3H3
InChIKeyMLBHTBUCJSCDQQ-UHFFFAOYSA-N
XLogP0.39
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine
CID 103226813
N-[3-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]propyl]cyclopropanamine
CID 103226330
N-[2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine
CID 103226957
N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-methoxypropyl]cyclopropanamine
CID 107456388
N-[2-(2,5-dimethylmorpholin-4-yl)-3-methoxypropyl]cyclopropanamine
CID 103225679
N-[2-(2-ethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine
CID 103225163
3-methoxy-N-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 103227363
2-(4-ethyl-3-methylpiperazin-1-yl)-3-methoxy-N-propylpropan-1-amine
CID 103226580
N-[3-methoxy-2-(3,4,5-trimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 103227359
3-methoxy-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-propan-2-ylpropan-1-amine
CID 103227037
N-[2-(3-methylpyrrolidin-1-yl)pentyl]cyclopropanamine
CID 83054279
3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine
CID 103227415

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylpiperazin-1-yl)-3-methoxypropyl]cyclopropanamine?
The IUPAC name of N-[2-(3,4-dimethylpiperazin-1-yl)-3-methoxypropyl]cyclopropanamine (CID 103226570) is N-[2-(3,4-dimethylpiperazin-1-yl)-3-methoxypropyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3,4-dimethylpiperazin-1-yl)-3-methoxypropyl]cyclopropanamine?
The canonical SMILES for N-[2-(3,4-dimethylpiperazin-1-yl)-3-methoxypropyl]cyclopropanamine is COCC(CNC1CC1)N1CCN(C)C(C)C1.
What is the InChIKey of N-[2-(3,4-dimethylpiperazin-1-yl)-3-methoxypropyl]cyclopropanamine?
The InChIKey is MLBHTBUCJSCDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11-9-16(7-6-15(11)2)13(10-17-3)8-14-12-4-5-12/h11-14H,4-10H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethylpiperazin-1-yl)-3-methoxypropyl]cyclopropanamine?
N-[2-(3,4-dimethylpiperazin-1-yl)-3-methoxypropyl]cyclopropanamine has a molecular weight of 241.38 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylpiperazin-1-yl)-3-methoxypropyl]cyclopropanamine is sourced from PubChem (CID 103226570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).