N-(2-methylpropyl)-2-(3,4,5-trimethylpiperazin-1-yl)pentan-1-amine

C16H35N3 — CID 114540171

IUPACN-(2-methylpropyl)-2-(3,4,5-trimethylpiperazin-1-yl)pentan-1-amine
SMILESCCCC(CNCC(C)C)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C16H35N3/c1-7-8-16(10-17-9-13(2)3)19-11-14(4)18(6)15(5)12-19/h13-17H,7-12H2,1-6H3
InChIKeyCTQZTJYRRMMLPE-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.43
Rot. Bonds7

About N-(2-methylpropyl)-2-(3,4,5-trimethylpiperazin-1-yl)pentan-1-amine

N-(2-methylpropyl)-2-(3,4,5-trimethylpiperazin-1-yl)pentan-1-amine (PubChem CID 114540171) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(3,4,5-trimethylpiperazin-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(3,4,5-trimethylpiperazin-1-yl)pentan-1-amine
PubChem CID114540171
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC NameN-(2-methylpropyl)-2-(3,4,5-trimethylpiperazin-1-yl)pentan-1-amine
SMILESCCCC(CNCC(C)C)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C16H35N3/c1-7-8-16(10-17-9-13(2)3)19-11-14(4)18(6)15(5)12-19/h13-17H,7-12H2,1-6H3
InChIKeyCTQZTJYRRMMLPE-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methoxy-2-(3,4,5-trimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 103227359
N-(2-methylpropyl)-2-morpholin-4-ylpentan-1-amine
CID 83042710
2-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 83054308
2-(3-methoxy-4-methylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 102967967
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-ethylpentan-1-amine
CID 104961018
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 83054886
1-[1-(ethylamino)pentan-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 83055181
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)pentan-1-amine
CID 83042402
2-methyl-N-propyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114538952
4-(3,4-dimethylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 63619609
N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 62437857
3-methoxy-N-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 103227363

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(3,4,5-trimethylpiperazin-1-yl)pentan-1-amine?
The IUPAC name of N-(2-methylpropyl)-2-(3,4,5-trimethylpiperazin-1-yl)pentan-1-amine (CID 114540171) is N-(2-methylpropyl)-2-(3,4,5-trimethylpiperazin-1-yl)pentan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-(3,4,5-trimethylpiperazin-1-yl)pentan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-2-(3,4,5-trimethylpiperazin-1-yl)pentan-1-amine is CCCC(CNCC(C)C)N1CC(C)N(C)C(C)C1.
What is the InChIKey of N-(2-methylpropyl)-2-(3,4,5-trimethylpiperazin-1-yl)pentan-1-amine?
The InChIKey is CTQZTJYRRMMLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-7-8-16(10-17-9-13(2)3)19-11-14(4)18(6)15(5)12-19/h13-17H,7-12H2,1-6H3.
What are the key properties of N-(2-methylpropyl)-2-(3,4,5-trimethylpiperazin-1-yl)pentan-1-amine?
N-(2-methylpropyl)-2-(3,4,5-trimethylpiperazin-1-yl)pentan-1-amine has a molecular weight of 269.48 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(3,4,5-trimethylpiperazin-1-yl)pentan-1-amine is sourced from PubChem (CID 114540171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).