1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpentan-2-amine

C13H29N3 — CID 115415231

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpentan-2-amine
SMILESCNC(CC(C)C)CC1CN(C)CCN1C
InChIInChI=1S/C13H29N3/c1-11(2)8-12(14-3)9-13-10-15(4)6-7-16(13)5/h11-14H,6-10H2,1-5H3
InChIKeyVXMGRRNFRMJOIF-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.26
Rot. Bonds5

About 1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpentan-2-amine

1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpentan-2-amine (PubChem CID 115415231) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpentan-2-amine
PubChem CID115415231
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpentan-2-amine
SMILESCNC(CC(C)C)CC1CN(C)CCN1C
InChIInChI=1S/C13H29N3/c1-11(2)8-12(14-3)9-13-10-15(4)6-7-16(13)5/h11-14H,6-10H2,1-5H3
InChIKeyVXMGRRNFRMJOIF-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-5-en-2-amine
CID 115415336
1-(1,4-dimethylpiperazin-2-yl)-N-methylundecan-2-amine
CID 115415407
1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpent-4-en-2-amine
CID 115415234
1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-4-yn-2-amine
CID 115415360
1-(1,4-dimethylpiperazin-2-yl)-N,3-dimethylpentan-2-amine
CID 115415365
1-(1,4-dimethylpiperazin-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 115415255
1-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415048
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(1,4-dimethylpiperazin-2-yl)-N-methylpropan-2-amine
CID 115415404
1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 115415288
[1-cyclopentyl-3-(1,4-dimethylpiperazin-2-yl)propan-2-yl]hydrazine
CID 105260117
3-[3-(1,4-dimethylpiperazin-2-yl)-2-(methylamino)propyl]phenol
CID 115415228
4-cyclopropyl-1-(1,4-dimethylpiperazin-2-yl)-N-ethylbutan-2-amine
CID 115415424

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpentan-2-amine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpentan-2-amine (CID 115415231) is 1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpentan-2-amine is CNC(CC(C)C)CC1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpentan-2-amine?
The InChIKey is VXMGRRNFRMJOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-11(2)8-12(14-3)9-13-10-15(4)6-7-16(13)5/h11-14H,6-10H2,1-5H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpentan-2-amine?
1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpentan-2-amine has a molecular weight of 227.40 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 115415231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).