N'-[2-[4-(6-aminohexyl)piperazin-1-yl]ethyl]hexane-1,6-diamine

C18H41N5 — CID 155822659

IUPACN'-[2-[4-(6-aminohexyl)piperazin-1-yl]ethyl]hexane-1,6-diamine
SMILESNCCCCCCNCCN1CCN(CCCCCCN)CC1
InChIInChI=1S/C18H41N5/c19-9-5-1-3-7-11-21-12-14-23-17-15-22(16-18-23)13-8-4-2-6-10-20/h21H,1-20H2
InChIKeyUPMKFVJOQKIMRA-UHFFFAOYSA-N
MW327.56 g/mol
LogP1.23
Rot. Bonds15

About N'-[2-[4-(6-aminohexyl)piperazin-1-yl]ethyl]hexane-1,6-diamine

N'-[2-[4-(6-aminohexyl)piperazin-1-yl]ethyl]hexane-1,6-diamine (PubChem CID 155822659) has the molecular formula C18H41N5 and a molecular weight of 327.56 g/mol. Its IUPAC name is N'-[2-[4-(6-aminohexyl)piperazin-1-yl]ethyl]hexane-1,6-diamine.

Molecular Properties

Compound NameN'-[2-[4-(6-aminohexyl)piperazin-1-yl]ethyl]hexane-1,6-diamine
PubChem CID155822659
Molecular FormulaC18H41N5
Molecular Weight327.56 g/mol
Exact Mass327.34
IUPAC NameN'-[2-[4-(6-aminohexyl)piperazin-1-yl]ethyl]hexane-1,6-diamine
SMILESNCCCCCCNCCN1CCN(CCCCCCN)CC1
InChIInChI=1S/C18H41N5/c19-9-5-1-3-7-11-21-12-14-23-17-15-22(16-18-23)13-8-4-2-6-10-20/h21H,1-20H2
InChIKeyUPMKFVJOQKIMRA-UHFFFAOYSA-N
XLogP1.23
TPSA70.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.56
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[6-(azepan-1-yl)hexyl]hexane-1,6-diamine;ethane
CID 142304743
N'-[3-[3-(azacyclotridec-1-yl)propylamino]propyl]butane-1,4-diamine
CID 10992253
N'-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]ethane-1,2-diamine;dihydrochloride
CID 86346365
N'-[4-(1,5,9-triazacyclododec-1-yl)butyl]butane-1,4-diamine
CID 166625566
N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
6-(azetidin-1-yl)hexan-1-amine
CID 18952651
5-(4-nonylpiperazin-1-yl)pentan-1-amine
CID 43253095
9-piperidin-1-ylnonan-1-amine
CID 123762077
7-(azepan-1-yl)heptan-1-amine
CID 28597448
N'-[2-(azepan-1-yl)ethyl]ethane-1,2-diamine;trihydrochloride
CID 119031355
N'-(3-aminopropyl)propane-1,3-diamine;3-piperazin-1-ylpropan-1-amine
CID 175297988
N'-[7-(aziridin-1-yl)heptyl]-N-[3-(aziridin-1-yl)propyl]-N'-[2-[3-(aziridin-1-yl)propylamino]ethyl]butane-1,4-diamine
CID 160703215

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(6-aminohexyl)piperazin-1-yl]ethyl]hexane-1,6-diamine?
The IUPAC name of N'-[2-[4-(6-aminohexyl)piperazin-1-yl]ethyl]hexane-1,6-diamine (CID 155822659) is N'-[2-[4-(6-aminohexyl)piperazin-1-yl]ethyl]hexane-1,6-diamine.
What is the SMILES notation for N'-[2-[4-(6-aminohexyl)piperazin-1-yl]ethyl]hexane-1,6-diamine?
The canonical SMILES for N'-[2-[4-(6-aminohexyl)piperazin-1-yl]ethyl]hexane-1,6-diamine is NCCCCCCNCCN1CCN(CCCCCCN)CC1.
What is the InChIKey of N'-[2-[4-(6-aminohexyl)piperazin-1-yl]ethyl]hexane-1,6-diamine?
The InChIKey is UPMKFVJOQKIMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41N5/c19-9-5-1-3-7-11-21-12-14-23-17-15-22(16-18-23)13-8-4-2-6-10-20/h21H,1-20H2.
What are the key properties of N'-[2-[4-(6-aminohexyl)piperazin-1-yl]ethyl]hexane-1,6-diamine?
N'-[2-[4-(6-aminohexyl)piperazin-1-yl]ethyl]hexane-1,6-diamine has a molecular weight of 327.56 g/mol, XLogP of 1.23, 15 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(6-aminohexyl)piperazin-1-yl]ethyl]hexane-1,6-diamine is sourced from PubChem (CID 155822659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).