N'-(1-ethylpiperidin-3-yl)-2-propan-2-ylpropane-1,3-diamine

C13H29N3 — CID 107441997

IUPACN'-(1-ethylpiperidin-3-yl)-2-propan-2-ylpropane-1,3-diamine
SMILESCCN1CCCC(NCC(CN)C(C)C)C1
InChIInChI=1S/C13H29N3/c1-4-16-7-5-6-13(10-16)15-9-12(8-14)11(2)3/h11-13,15H,4-10,14H2,1-3H3
InChIKeyCOUYTBCJAKGMLL-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.29
Rot. Bonds6

About N'-(1-ethylpiperidin-3-yl)-2-propan-2-ylpropane-1,3-diamine

N'-(1-ethylpiperidin-3-yl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107441997) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N'-(1-ethylpiperidin-3-yl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-ethylpiperidin-3-yl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID107441997
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN'-(1-ethylpiperidin-3-yl)-2-propan-2-ylpropane-1,3-diamine
SMILESCCN1CCCC(NCC(CN)C(C)C)C1
InChIInChI=1S/C13H29N3/c1-4-16-7-5-6-13(10-16)15-9-12(8-14)11(2)3/h11-13,15H,4-10,14H2,1-3H3
InChIKeyCOUYTBCJAKGMLL-UHFFFAOYSA-N
XLogP1.29
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-(2-methylbutyl)pyrrolidin-3-amine
CID 142317585
N'-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441091
1-ethyl-N-(4-methylpentan-2-yl)piperidin-3-amine
CID 61169975
N-(1-cyclohexylethyl)-1-ethylpiperidin-3-amine
CID 61170770
N'-(3-methylcyclopentyl)-2-propan-2-ylpropane-1,3-diamine
CID 114547307
(3R)-N-[di(cyclobutyl)methyl]-1-ethylpiperidin-3-amine
CID 124848782
2-propan-2-yl-N'-(1-pyrimidin-2-ylpiperidin-4-yl)propane-1,3-diamine
CID 107441426
2-[4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidin-1-yl]-N-methylacetamide
CID 107441533
1-ethyl-N-heptan-3-ylpiperidin-3-amine
CID 63946324
2-bromo-N-(1-ethylpiperidin-3-yl)propanamide
CID 107904785
1-ethyl-N-(3-methoxybutan-2-yl)piperidin-3-amine
CID 115711412
N-(1-cyclobutylpropan-2-yl)-1-ethylpiperidin-3-amine
CID 115711406

Frequently Asked Questions

What is the IUPAC name of N'-(1-ethylpiperidin-3-yl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(1-ethylpiperidin-3-yl)-2-propan-2-ylpropane-1,3-diamine (CID 107441997) is N'-(1-ethylpiperidin-3-yl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(1-ethylpiperidin-3-yl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(1-ethylpiperidin-3-yl)-2-propan-2-ylpropane-1,3-diamine is CCN1CCCC(NCC(CN)C(C)C)C1.
What is the InChIKey of N'-(1-ethylpiperidin-3-yl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is COUYTBCJAKGMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-4-16-7-5-6-13(10-16)15-9-12(8-14)11(2)3/h11-13,15H,4-10,14H2,1-3H3.
What are the key properties of N'-(1-ethylpiperidin-3-yl)-2-propan-2-ylpropane-1,3-diamine?
N'-(1-ethylpiperidin-3-yl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-ethylpiperidin-3-yl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107441997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).