N-(2-methylpropyl)-8-(4-propan-2-ylpiperazin-1-yl)octan-1-amine

C19H41N3 — CID 174276401

IUPACN-(2-methylpropyl)-8-(4-propan-2-ylpiperazin-1-yl)octan-1-amine
SMILESCC(C)CNCCCCCCCCN1CCN(C(C)C)CC1
InChIInChI=1S/C19H41N3/c1-18(2)17-20-11-9-7-5-6-8-10-12-21-13-15-22(16-14-21)19(3)4/h18-20H,5-17H2,1-4H3
InChIKeyMYPNLZNOJPMAGB-UHFFFAOYSA-N
MW311.56 g/mol
LogP3.60
Rot. Bonds12

About N-(2-methylpropyl)-8-(4-propan-2-ylpiperazin-1-yl)octan-1-amine

N-(2-methylpropyl)-8-(4-propan-2-ylpiperazin-1-yl)octan-1-amine (PubChem CID 174276401) has the molecular formula C19H41N3 and a molecular weight of 311.56 g/mol. Its IUPAC name is N-(2-methylpropyl)-8-(4-propan-2-ylpiperazin-1-yl)octan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-8-(4-propan-2-ylpiperazin-1-yl)octan-1-amine
PubChem CID174276401
Molecular FormulaC19H41N3
Molecular Weight311.56 g/mol
Exact Mass311.33
IUPAC NameN-(2-methylpropyl)-8-(4-propan-2-ylpiperazin-1-yl)octan-1-amine
SMILESCC(C)CNCCCCCCCCN1CCN(C(C)C)CC1
InChIInChI=1S/C19H41N3/c1-18(2)17-20-11-9-7-5-6-8-10-12-21-13-15-22(16-14-21)19(3)4/h18-20H,5-17H2,1-4H3
InChIKeyMYPNLZNOJPMAGB-UHFFFAOYSA-N
XLogP3.60
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.56
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine
CID 62433428
5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62774852
5-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62438364
N-(2-methylpropyl)-4-piperidin-1-ylbutan-1-amine
CID 62425413
5-(4,4-dimethylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62930484
1-(7-methyloctyl)-4-propan-2-ylpiperazine
CID 168753861
5-(4-ethylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55069235
4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62422628
3-(4-propan-2-ylpiperazin-1-yl)-N-propylpropan-1-amine
CID 61387216
4-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 63160182
5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol
CID 22218549
1-(5-chloropentyl)-4-propan-2-ylpiperazine
CID 61288760

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-8-(4-propan-2-ylpiperazin-1-yl)octan-1-amine?
The IUPAC name of N-(2-methylpropyl)-8-(4-propan-2-ylpiperazin-1-yl)octan-1-amine (CID 174276401) is N-(2-methylpropyl)-8-(4-propan-2-ylpiperazin-1-yl)octan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-8-(4-propan-2-ylpiperazin-1-yl)octan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-8-(4-propan-2-ylpiperazin-1-yl)octan-1-amine is CC(C)CNCCCCCCCCN1CCN(C(C)C)CC1.
What is the InChIKey of N-(2-methylpropyl)-8-(4-propan-2-ylpiperazin-1-yl)octan-1-amine?
The InChIKey is MYPNLZNOJPMAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N3/c1-18(2)17-20-11-9-7-5-6-8-10-12-21-13-15-22(16-14-21)19(3)4/h18-20H,5-17H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-8-(4-propan-2-ylpiperazin-1-yl)octan-1-amine?
N-(2-methylpropyl)-8-(4-propan-2-ylpiperazin-1-yl)octan-1-amine has a molecular weight of 311.56 g/mol, XLogP of 3.60, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-8-(4-propan-2-ylpiperazin-1-yl)octan-1-amine is sourced from PubChem (CID 174276401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).