2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentan-1-amine

C12H27N3 — CID 65256580

IUPAC2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
SMILESCN1CCN(CCCC(C)(C)CN)CC1
InChIInChI=1S/C12H27N3/c1-12(2,11-13)5-4-6-15-9-7-14(3)8-10-15/h4-11,13H2,1-3H3
InChIKeyNJGMICYHZOOIBQ-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.00
Rot. Bonds5

About 2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentan-1-amine

2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentan-1-amine (PubChem CID 65256580) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
PubChem CID65256580
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
SMILESCN1CCN(CCCC(C)(C)CN)CC1
InChIInChI=1S/C12H27N3/c1-12(2,11-13)5-4-6-15-9-7-14(3)8-10-15/h4-11,13H2,1-3H3
InChIKeyNJGMICYHZOOIBQ-UHFFFAOYSA-N
XLogP1.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylpentan-1-amine
CID 65254132
5-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylpentan-1-amine
CID 65254432
5-(4,4-diethylpiperidin-1-yl)-2,2-dimethylpentan-1-amine
CID 65254542
4-(4-ethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine
CID 65249831
6-(1,1-dioxo-1,4-thiazepan-4-yl)-2,2-dimethylhexan-1-amine
CID 114083387
6-(4-ethylpiperidin-1-yl)-2,2-dimethylhexan-1-amine
CID 106707970
4-(azepan-1-yl)-2,2-dimethylbutan-1-amine
CID 65249592
2,2-difluoro-8-(4-methylpiperazin-1-yl)octan-1-amine;ethane
CID 142386293
4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride
CID 174573387
2,2-dimethyl-6-(4-methylazepan-1-yl)hexan-1-amine
CID 106708126
6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethylhexan-1-amine
CID 65296194
1-(3,3-dimethylnonyl)-4-methylpiperazine
CID 130279458

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentan-1-amine (CID 65256580) is 2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentan-1-amine is CN1CCN(CCCC(C)(C)CN)CC1.
What is the InChIKey of 2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentan-1-amine?
The InChIKey is NJGMICYHZOOIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-12(2,11-13)5-4-6-15-9-7-14(3)8-10-15/h4-11,13H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentan-1-amine?
2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentan-1-amine has a molecular weight of 213.37 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentan-1-amine is sourced from PubChem (CID 65256580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).