1-N,4-N-di(cyclooctyl)piperazine-1,4-diamine

C20H40N4 — CID 70099452

IUPAC1-N,4-N-di(cyclooctyl)piperazine-1,4-diamine
SMILESC1CCCC(NN2CCN(NC3CCCCCCC3)CC2)CCC1
InChIInChI=1S/C20H40N4/c1-3-7-11-19(12-8-4-1)21-23-15-17-24(18-16-23)22-20-13-9-5-2-6-10-14-20/h19-22H,1-18H2
InChIKeyQVPGSPBJAYFMCJ-UHFFFAOYSA-N
MW336.57 g/mol
LogP3.84
Rot. Bonds4

About 1-N,4-N-di(cyclooctyl)piperazine-1,4-diamine

1-N,4-N-di(cyclooctyl)piperazine-1,4-diamine (PubChem CID 70099452) has the molecular formula C20H40N4 and a molecular weight of 336.57 g/mol. Its IUPAC name is 1-N,4-N-di(cyclooctyl)piperazine-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-di(cyclooctyl)piperazine-1,4-diamine
PubChem CID70099452
Molecular FormulaC20H40N4
Molecular Weight336.57 g/mol
Exact Mass336.33
IUPAC Name1-N,4-N-di(cyclooctyl)piperazine-1,4-diamine
SMILESC1CCCC(NN2CCN(NC3CCCCCCC3)CC2)CCC1
InChIInChI=1S/C20H40N4/c1-3-7-11-19(12-8-4-1)21-23-15-17-24(18-16-23)22-20-13-9-5-2-6-10-14-20/h19-22H,1-18H2
InChIKeyQVPGSPBJAYFMCJ-UHFFFAOYSA-N
XLogP3.84
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptylpiperidin-1-amine
CID 83007476
N-cyclopropylpiperidin-1-amine
CID 57433126
N-cyclohexylmorpholin-4-amine;phosphoric acid
CID 174919076
N-(oxan-4-yl)piperidin-1-amine
CID 83007746
N-piperidin-3-ylpiperidin-1-amine
CID 83006888
4-methyl-N-(1-methylpiperidin-3-yl)piperazin-1-amine
CID 83009082
1,2-di(cyclononyl)hydrazine
CID 155042261
N-(4-tert-butylcyclohexyl)-4-methylpiperazin-1-amine
CID 83010584
2-(piperidin-1-ylamino)cycloheptan-1-ol
CID 83014077
N-methylcyclohexanamine
CID 7514
N-methylcyclotetradecanamine
CID 59468246
N-cyclopropylcyclododecanamine
CID 16776852

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-di(cyclooctyl)piperazine-1,4-diamine?
The IUPAC name of 1-N,4-N-di(cyclooctyl)piperazine-1,4-diamine (CID 70099452) is 1-N,4-N-di(cyclooctyl)piperazine-1,4-diamine.
What is the SMILES notation for 1-N,4-N-di(cyclooctyl)piperazine-1,4-diamine?
The canonical SMILES for 1-N,4-N-di(cyclooctyl)piperazine-1,4-diamine is C1CCCC(NN2CCN(NC3CCCCCCC3)CC2)CCC1.
What is the InChIKey of 1-N,4-N-di(cyclooctyl)piperazine-1,4-diamine?
The InChIKey is QVPGSPBJAYFMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4/c1-3-7-11-19(12-8-4-1)21-23-15-17-24(18-16-23)22-20-13-9-5-2-6-10-14-20/h19-22H,1-18H2.
What are the key properties of 1-N,4-N-di(cyclooctyl)piperazine-1,4-diamine?
1-N,4-N-di(cyclooctyl)piperazine-1,4-diamine has a molecular weight of 336.57 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-di(cyclooctyl)piperazine-1,4-diamine is sourced from PubChem (CID 70099452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).