N,N-dimethyl-1-[(1S,5R)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine

C14H21N3 — CID 56895117

IUPACN,N-dimethyl-1-[(1S,5R)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
SMILESCN(C)CC1[C@H]2CN(Cc3cccnc3)C[C@@H]12
InChIInChI=1S/C14H21N3/c1-16(2)8-12-13-9-17(10-14(12)13)7-11-4-3-5-15-6-11/h3-6,12-14H,7-10H2,1-2H3/t12?,13-,14+
InChIKeyPRUCFKUMKAYFBY-AGUYFDCRSA-N
MW231.34 g/mol
LogP1.32
Rot. Bonds4

About N,N-dimethyl-1-[(1S,5R)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine

N,N-dimethyl-1-[(1S,5R)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine (PubChem CID 56895117) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N,N-dimethyl-1-[(1S,5R)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(1S,5R)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
PubChem CID56895117
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN,N-dimethyl-1-[(1S,5R)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
SMILESCN(C)CC1[C@H]2CN(Cc3cccnc3)C[C@@H]12
InChIInChI=1S/C14H21N3/c1-16(2)8-12-13-9-17(10-14(12)13)7-11-4-3-5-15-6-11/h3-6,12-14H,7-10H2,1-2H3/t12?,13-,14+
InChIKeyPRUCFKUMKAYFBY-AGUYFDCRSA-N
XLogP1.32
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-tert-butylazetidin-1-yl)methyl]pyridine
CID 164785326
3-[(3-chloro-4-methylpyrrolidin-1-yl)methyl]pyridine
CID 131185945
3,7-dimethyl-1-(pyridin-3-ylmethyl)-1,5-diazocane
CID 54977770
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]propane-1-sulfonamide
CID 91922913
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-3-methoxypropanamide
CID 91922899
(4R,4aR,7aR)-N,N-dimethyl-1,1-dioxo-6-(pyridin-3-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrole-4-carboxamide
CID 124805501
(4R,4aR,7aR)-4-methoxy-6-(pyridin-3-ylmethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 124790865
3-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64832187
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
(4R,4aS,7aS)-4-methoxy-6-(pyridin-3-ylmethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;trihydrochloride
CID 155844063
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
[(3aR,6aS)-2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclobutylmethanone
CID 97452906

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(1S,5R)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[(1S,5R)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine (CID 56895117) is N,N-dimethyl-1-[(1S,5R)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[(1S,5R)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[(1S,5R)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine is CN(C)CC1[C@H]2CN(Cc3cccnc3)C[C@@H]12.
What is the InChIKey of N,N-dimethyl-1-[(1S,5R)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine?
The InChIKey is PRUCFKUMKAYFBY-AGUYFDCRSA-N. The full InChI is InChI=1S/C14H21N3/c1-16(2)8-12-13-9-17(10-14(12)13)7-11-4-3-5-15-6-11/h3-6,12-14H,7-10H2,1-2H3/t12?,13-,14+.
What are the key properties of N,N-dimethyl-1-[(1S,5R)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine?
N,N-dimethyl-1-[(1S,5R)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine has a molecular weight of 231.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(1S,5R)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine is sourced from PubChem (CID 56895117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).