4-[[4-(aminomethyl)cyclohexyl]methylamino]pyridine-2-carbonitrile

C14H20N4 — CID 114231608

IUPAC4-[[4-(aminomethyl)cyclohexyl]methylamino]pyridine-2-carbonitrile
SMILESN#Cc1cc(NCC2CCC(CN)CC2)ccn1
InChIInChI=1S/C14H20N4/c15-8-11-1-3-12(4-2-11)10-18-13-5-6-17-14(7-13)9-16/h5-7,11-12H,1-4,8,10,15H2,(H,17,18)
InChIKeyLSRPEDVGRBKUPS-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.13
Rot. Bonds4

About 4-[[4-(aminomethyl)cyclohexyl]methylamino]pyridine-2-carbonitrile

4-[[4-(aminomethyl)cyclohexyl]methylamino]pyridine-2-carbonitrile (PubChem CID 114231608) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)cyclohexyl]methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[4-(aminomethyl)cyclohexyl]methylamino]pyridine-2-carbonitrile
PubChem CID114231608
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-[[4-(aminomethyl)cyclohexyl]methylamino]pyridine-2-carbonitrile
SMILESN#Cc1cc(NCC2CCC(CN)CC2)ccn1
InChIInChI=1S/C14H20N4/c15-8-11-1-3-12(4-2-11)10-18-13-5-6-17-14(7-13)9-16/h5-7,11-12H,1-4,8,10,15H2,(H,17,18)
InChIKeyLSRPEDVGRBKUPS-UHFFFAOYSA-N
XLogP2.13
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-hydroxycyclohexyl)methylamino]pyridine-2-carbonitrile
CID 106129313
4-[(2-methylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 62925361
4-(3-aminopropylamino)pyridine-2-carbonitrile
CID 62926383
4-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbonitrile
CID 62979748
4-hydrazinylpyridine-2-carbonitrile
CID 62925156
4-(2-methoxyethylamino)pyridine-2-carbonitrile
CID 62924815
2-[(2-cyano-4-pyridinyl)amino]acetamide
CID 62924991
4-(methylamino)pyridine-2-carbonitrile
CID 45079907
4-(3,3,3-trifluoropropylamino)pyridine-2-carbonitrile
CID 63226781
4-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carbonitrile
CID 114132679
5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 115487633
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)pyridine-2-carbonitrile
CID 79071619

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)cyclohexyl]methylamino]pyridine-2-carbonitrile?
The IUPAC name of 4-[[4-(aminomethyl)cyclohexyl]methylamino]pyridine-2-carbonitrile (CID 114231608) is 4-[[4-(aminomethyl)cyclohexyl]methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[4-(aminomethyl)cyclohexyl]methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[4-(aminomethyl)cyclohexyl]methylamino]pyridine-2-carbonitrile is N#Cc1cc(NCC2CCC(CN)CC2)ccn1.
What is the InChIKey of 4-[[4-(aminomethyl)cyclohexyl]methylamino]pyridine-2-carbonitrile?
The InChIKey is LSRPEDVGRBKUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c15-8-11-1-3-12(4-2-11)10-18-13-5-6-17-14(7-13)9-16/h5-7,11-12H,1-4,8,10,15H2,(H,17,18).
What are the key properties of 4-[[4-(aminomethyl)cyclohexyl]methylamino]pyridine-2-carbonitrile?
4-[[4-(aminomethyl)cyclohexyl]methylamino]pyridine-2-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)cyclohexyl]methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 114231608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).