3-[[1-(diethylamino)cyclopentyl]-(methylamino)methyl]pyridin-2-amine

C16H28N4 — CID 79070427

IUPAC3-[[1-(diethylamino)cyclopentyl]-(methylamino)methyl]pyridin-2-amine
SMILESCCN(CC)C1(C(NC)c2cccnc2N)CCCC1
InChIInChI=1S/C16H28N4/c1-4-20(5-2)16(10-6-7-11-16)14(18-3)13-9-8-12-19-15(13)17/h8-9,12,14,18H,4-7,10-11H2,1-3H3,(H2,17,19)
InChIKeyLYCARAUZDAUFMN-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.58
Rot. Bonds6

About 3-[[1-(diethylamino)cyclopentyl]-(methylamino)methyl]pyridin-2-amine

3-[[1-(diethylamino)cyclopentyl]-(methylamino)methyl]pyridin-2-amine (PubChem CID 79070427) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 3-[[1-(diethylamino)cyclopentyl]-(methylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[[1-(diethylamino)cyclopentyl]-(methylamino)methyl]pyridin-2-amine
PubChem CID79070427
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name3-[[1-(diethylamino)cyclopentyl]-(methylamino)methyl]pyridin-2-amine
SMILESCCN(CC)C1(C(NC)c2cccnc2N)CCCC1
InChIInChI=1S/C16H28N4/c1-4-20(5-2)16(10-6-7-11-16)14(18-3)13-9-8-12-19-15(13)17/h8-9,12,14,18H,4-7,10-11H2,1-3H3,(H2,17,19)
InChIKeyLYCARAUZDAUFMN-UHFFFAOYSA-N
XLogP2.58
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(diethylamino)cyclopentyl]-(methylamino)methyl]pyridin-2-amine?
The IUPAC name of 3-[[1-(diethylamino)cyclopentyl]-(methylamino)methyl]pyridin-2-amine (CID 79070427) is 3-[[1-(diethylamino)cyclopentyl]-(methylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[[1-(diethylamino)cyclopentyl]-(methylamino)methyl]pyridin-2-amine?
The canonical SMILES for 3-[[1-(diethylamino)cyclopentyl]-(methylamino)methyl]pyridin-2-amine is CCN(CC)C1(C(NC)c2cccnc2N)CCCC1.
What is the InChIKey of 3-[[1-(diethylamino)cyclopentyl]-(methylamino)methyl]pyridin-2-amine?
The InChIKey is LYCARAUZDAUFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-20(5-2)16(10-6-7-11-16)14(18-3)13-9-8-12-19-15(13)17/h8-9,12,14,18H,4-7,10-11H2,1-3H3,(H2,17,19).
What are the key properties of 3-[[1-(diethylamino)cyclopentyl]-(methylamino)methyl]pyridin-2-amine?
3-[[1-(diethylamino)cyclopentyl]-(methylamino)methyl]pyridin-2-amine has a molecular weight of 276.43 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(diethylamino)cyclopentyl]-(methylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 79070427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).