4,4-dimethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pentan-1-amine

C17H30N4 — CID 107473060

IUPAC4,4-dimethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pentan-1-amine
SMILESCC(C)(C)CC(CN)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H30N4/c1-17(2,3)12-15(13-18)14-20-8-10-21(11-9-20)16-6-4-5-7-19-16/h4-7,15H,8-14,18H2,1-3H3
InChIKeyGROYTWROCIHRFV-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.21
Rot. Bonds5

About 4,4-dimethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pentan-1-amine

4,4-dimethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pentan-1-amine (PubChem CID 107473060) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pentan-1-amine
PubChem CID107473060
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name4,4-dimethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pentan-1-amine
SMILESCC(C)(C)CC(CN)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H30N4/c1-17(2,3)12-15(13-18)14-20-8-10-21(11-9-20)16-6-4-5-7-19-16/h4-7,15H,8-14,18H2,1-3H3
InChIKeyGROYTWROCIHRFV-UHFFFAOYSA-N
XLogP2.21
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,4-dimethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pentan-1-amine with MolForge

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Related Compounds

(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
CID 80544367
1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-amine
CID 43650423
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
3,3,3-trifluoro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]propanethioamide
CID 103368489
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
N,3,3-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-amine
CID 66452314
2-methyl-1-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 66336663
2-acetamido-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 71157049
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pentan-1-amine?
The IUPAC name of 4,4-dimethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pentan-1-amine (CID 107473060) is 4,4-dimethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pentan-1-amine?
The canonical SMILES for 4,4-dimethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pentan-1-amine is CC(C)(C)CC(CN)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of 4,4-dimethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pentan-1-amine?
The InChIKey is GROYTWROCIHRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-17(2,3)12-15(13-18)14-20-8-10-21(11-9-20)16-6-4-5-7-19-16/h4-7,15H,8-14,18H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pentan-1-amine?
4,4-dimethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pentan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pentan-1-amine is sourced from PubChem (CID 107473060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).