2,8-dimethyl-N-(7-piperazin-1-ylheptyl)nonan-5-amine

C22H47N3 — CID 70378610

IUPAC2,8-dimethyl-N-(7-piperazin-1-ylheptyl)nonan-5-amine
SMILESCC(C)CCC(CCC(C)C)NCCCCCCCN1CCNCC1
InChIInChI=1S/C22H47N3/c1-20(2)10-12-22(13-11-21(3)4)24-14-8-6-5-7-9-17-25-18-15-23-16-19-25/h20-24H,5-19H2,1-4H3
InChIKeyATEZIBPNLLTPDQ-UHFFFAOYSA-N
MW353.64 g/mol
LogP4.67
Rot. Bonds15

About 2,8-dimethyl-N-(7-piperazin-1-ylheptyl)nonan-5-amine

2,8-dimethyl-N-(7-piperazin-1-ylheptyl)nonan-5-amine (PubChem CID 70378610) has the molecular formula C22H47N3 and a molecular weight of 353.64 g/mol. Its IUPAC name is 2,8-dimethyl-N-(7-piperazin-1-ylheptyl)nonan-5-amine.

Molecular Properties

Compound Name2,8-dimethyl-N-(7-piperazin-1-ylheptyl)nonan-5-amine
PubChem CID70378610
Molecular FormulaC22H47N3
Molecular Weight353.64 g/mol
Exact Mass353.38
IUPAC Name2,8-dimethyl-N-(7-piperazin-1-ylheptyl)nonan-5-amine
SMILESCC(C)CCC(CCC(C)C)NCCCCCCCN1CCNCC1
InChIInChI=1S/C22H47N3/c1-20(2)10-12-22(13-11-21(3)4)24-14-8-6-5-7-9-17-25-18-15-23-16-19-25/h20-24H,5-19H2,1-4H3
InChIKeyATEZIBPNLLTPDQ-UHFFFAOYSA-N
XLogP4.67
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.64
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,8-dimethyl-N-(4-piperidin-1-ylbutyl)nonan-5-amine
CID 15030022
1-(8-methylnonyl)piperazine
CID 170614920
4-methyl-N-(4-piperazin-1-ylbutyl)pentan-1-amine
CID 115240408
7-methyl-1-phenyl-N-(7-piperidin-1-ylheptyl)octan-4-amine
CID 19026114
N-pentyl-6-piperazin-1-ylhexan-1-amine
CID 54403619
1-(5-methylhexyl)-1,5-diazocane
CID 115326852
2-(3-methylbutylsulfanyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393490
2-(3-methylbutoxy)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119392976
1-tricosylpiperazine
CID 130183651
N-(3-piperazin-1-ylpropyl)hexan-1-amine
CID 135182222
5-piperazin-1-ylpentylcarbamic acid
CID 166666960
ethane;1-[2-(3-methylbutoxy)ethyl]piperazine
CID 176984616

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-N-(7-piperazin-1-ylheptyl)nonan-5-amine?
The IUPAC name of 2,8-dimethyl-N-(7-piperazin-1-ylheptyl)nonan-5-amine (CID 70378610) is 2,8-dimethyl-N-(7-piperazin-1-ylheptyl)nonan-5-amine.
What is the SMILES notation for 2,8-dimethyl-N-(7-piperazin-1-ylheptyl)nonan-5-amine?
The canonical SMILES for 2,8-dimethyl-N-(7-piperazin-1-ylheptyl)nonan-5-amine is CC(C)CCC(CCC(C)C)NCCCCCCCN1CCNCC1.
What is the InChIKey of 2,8-dimethyl-N-(7-piperazin-1-ylheptyl)nonan-5-amine?
The InChIKey is ATEZIBPNLLTPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47N3/c1-20(2)10-12-22(13-11-21(3)4)24-14-8-6-5-7-9-17-25-18-15-23-16-19-25/h20-24H,5-19H2,1-4H3.
What are the key properties of 2,8-dimethyl-N-(7-piperazin-1-ylheptyl)nonan-5-amine?
2,8-dimethyl-N-(7-piperazin-1-ylheptyl)nonan-5-amine has a molecular weight of 353.64 g/mol, XLogP of 4.67, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-N-(7-piperazin-1-ylheptyl)nonan-5-amine is sourced from PubChem (CID 70378610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).