(1R,4R,7R)-2-N,6-dimethyl-2-azabicyclo[2.2.1]heptane-2,7-diamine

C8H17N3 — CID 167135042

IUPAC(1R,4R,7R)-2-N,6-dimethyl-2-azabicyclo[2.2.1]heptane-2,7-diamine
SMILESCNN1C[C@H]2CC(C)[C@@H]1[C@@H]2N
InChIInChI=1S/C8H17N3/c1-5-3-6-4-11(10-2)8(5)7(6)9/h5-8,10H,3-4,9H2,1-2H3/t5?,6-,7-,8-/m1/s1
InChIKeyFTXTVOWMPOIORF-UIYHXYAWSA-N
MW155.24 g/mol
LogP-0.21
Rot. Bonds1

About (1R,4R,7R)-2-N,6-dimethyl-2-azabicyclo[2.2.1]heptane-2,7-diamine

(1R,4R,7R)-2-N,6-dimethyl-2-azabicyclo[2.2.1]heptane-2,7-diamine (PubChem CID 167135042) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is (1R,4R,7R)-2-N,6-dimethyl-2-azabicyclo[2.2.1]heptane-2,7-diamine.

Molecular Properties

Compound Name(1R,4R,7R)-2-N,6-dimethyl-2-azabicyclo[2.2.1]heptane-2,7-diamine
PubChem CID167135042
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name(1R,4R,7R)-2-N,6-dimethyl-2-azabicyclo[2.2.1]heptane-2,7-diamine
SMILESCNN1C[C@H]2CC(C)[C@@H]1[C@@H]2N
InChIInChI=1S/C8H17N3/c1-5-3-6-4-11(10-2)8(5)7(6)9/h5-8,10H,3-4,9H2,1-2H3/t5?,6-,7-,8-/m1/s1
InChIKeyFTXTVOWMPOIORF-UIYHXYAWSA-N
XLogP-0.21
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,4R,7R)-2-N,6-dimethyl-2-azabicyclo[2.2.1]heptane-2,7-diamine with MolForge

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Related Compounds

(1R,4R,6S,7R)-2-methyl-2-azabicyclo[2.2.1]heptane-6,7-diamine
CID 129230384
cis-(1S,2R)-2-methylcyclopropan-1-amine;hydrochloride
CID 146012745
deuterium monohydride;1,2-dimethylcyclopropane
CID 159192336
3-amino-6-methylbicyclo[2.2.1]heptan-2-ol
CID 20804981
trans-(1R,2R)-2-methylcyclopropan-1-amine
CID 12953691
N,6-dimethylbicyclo[3.2.0]heptan-3-amine
CID 129173155
3-(4-methylthiolan-3-yl)-3-azabicyclo[3.1.1]heptan-6-amine
CID 131198222
3,4-dimethylcyclopentane-1,2-diamine
CID 20514197
(1R,4R,6S,7R)-2-butyl-2-azabicyclo[2.2.1]heptane-6,7-diamine
CID 167260013
(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-(3-methylcyclobutyl)methanone
CID 164652443
7-methyltricyclo[3.3.0.02,4]octane
CID 154523020
(2S,5S)-2,5-dimethylbicyclo[2.2.1]heptane
CID 59124874

Frequently Asked Questions

What is the IUPAC name of (1R,4R,7R)-2-N,6-dimethyl-2-azabicyclo[2.2.1]heptane-2,7-diamine?
The IUPAC name of (1R,4R,7R)-2-N,6-dimethyl-2-azabicyclo[2.2.1]heptane-2,7-diamine (CID 167135042) is (1R,4R,7R)-2-N,6-dimethyl-2-azabicyclo[2.2.1]heptane-2,7-diamine.
What is the SMILES notation for (1R,4R,7R)-2-N,6-dimethyl-2-azabicyclo[2.2.1]heptane-2,7-diamine?
The canonical SMILES for (1R,4R,7R)-2-N,6-dimethyl-2-azabicyclo[2.2.1]heptane-2,7-diamine is CNN1C[C@H]2CC(C)[C@@H]1[C@@H]2N.
What is the InChIKey of (1R,4R,7R)-2-N,6-dimethyl-2-azabicyclo[2.2.1]heptane-2,7-diamine?
The InChIKey is FTXTVOWMPOIORF-UIYHXYAWSA-N. The full InChI is InChI=1S/C8H17N3/c1-5-3-6-4-11(10-2)8(5)7(6)9/h5-8,10H,3-4,9H2,1-2H3/t5?,6-,7-,8-/m1/s1.
What are the key properties of (1R,4R,7R)-2-N,6-dimethyl-2-azabicyclo[2.2.1]heptane-2,7-diamine?
(1R,4R,7R)-2-N,6-dimethyl-2-azabicyclo[2.2.1]heptane-2,7-diamine has a molecular weight of 155.24 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,7R)-2-N,6-dimethyl-2-azabicyclo[2.2.1]heptane-2,7-diamine is sourced from PubChem (CID 167135042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).