N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine

C16H35N3 — CID 102992621

IUPACN'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CCC1CCCC1N
InChIInChI=1S/C16H35N3/c1-4-18(5-2)12-8-13-19(6-3)14-11-15-9-7-10-16(15)17/h15-16H,4-14,17H2,1-3H3
InChIKeyYYSCLKDZNRLJOI-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.56
Rot. Bonds10

About N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine

N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine (PubChem CID 102992621) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
PubChem CID102992621
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC NameN'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CCC1CCCC1N
InChIInChI=1S/C16H35N3/c1-4-18(5-2)12-8-13-19(6-3)14-11-15-9-7-10-16(15)17/h15-16H,4-14,17H2,1-3H3
InChIKeyYYSCLKDZNRLJOI-UHFFFAOYSA-N
XLogP2.56
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-ethoxyethyl(ethyl)amino]ethyl]cyclopentan-1-amine
CID 79566140
2-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]cyclopentan-1-amine
CID 79565209
2-[2-[bis(2-ethoxyethyl)amino]ethyl]cyclopentan-1-amine
CID 82965281
2-[2-[bis(cyclopropylmethyl)amino]ethyl]cyclopentan-1-amine
CID 79565468
N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 79565567
2-[2-[ethyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine
CID 79569791
2-[[butyl(ethyl)amino]methyl]cycloheptan-1-amine
CID 62615538
cyclohexane-1,2-diamine;cyclohexane-1,4-diamine;N',N'-diethylpropane-1,3-diamine
CID 174890647
2-cyclobutyl-N,N-diethylethanamine
CID 142625062
2-(diethylaminomethyl)cycloheptan-1-amine
CID 62616063
trans-(1S,2R)-2-octylcyclopentan-1-amine
CID 97292499
2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine
CID 79565510

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine (CID 102992621) is N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine is CCN(CC)CCCN(CC)CCC1CCCC1N.
What is the InChIKey of N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine?
The InChIKey is YYSCLKDZNRLJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-4-18(5-2)12-8-13-19(6-3)14-11-15-9-7-10-16(15)17/h15-16H,4-14,17H2,1-3H3.
What are the key properties of N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine?
N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.56, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 102992621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).