N-(cyclohexylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine

C17H28N4 — CID 44547276

IUPACN-(cyclohexylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
SMILESCN[C@@H]1CCN(c2ccnc(NCC3CCCCC3)c2)C1
InChIInChI=1S/C17H28N4/c1-18-15-8-10-21(13-15)16-7-9-19-17(11-16)20-12-14-5-3-2-4-6-14/h7,9,11,14-15,18H,2-6,8,10,12-13H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyVEKBSXAIEYAGSW-OAHLLOKOSA-N
MW288.44 g/mol
LogP2.87
Rot. Bonds5

About N-(cyclohexylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine

N-(cyclohexylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine (PubChem CID 44547276) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
PubChem CID44547276
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-(cyclohexylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
SMILESCN[C@@H]1CCN(c2ccnc(NCC3CCCCC3)c2)C1
InChIInChI=1S/C17H28N4/c1-18-15-8-10-21(13-15)16-7-9-19-17(11-16)20-12-14-5-3-2-4-6-14/h7,9,11,14-15,18H,2-6,8,10,12-13H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyVEKBSXAIEYAGSW-OAHLLOKOSA-N
XLogP2.87
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine (CID 44547276) is N-(cyclohexylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine is CN[C@@H]1CCN(c2ccnc(NCC3CCCCC3)c2)C1.
What is the InChIKey of N-(cyclohexylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
The InChIKey is VEKBSXAIEYAGSW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28N4/c1-18-15-8-10-21(13-15)16-7-9-19-17(11-16)20-12-14-5-3-2-4-6-14/h7,9,11,14-15,18H,2-6,8,10,12-13H2,1H3,(H,19,20)/t15-/m1/s1.
What are the key properties of N-(cyclohexylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
N-(cyclohexylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine has a molecular weight of 288.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine is sourced from PubChem (CID 44547276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).