(1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-4-amine

C7H14N2 — CID 167134996

IUPAC(1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-4-amine
SMILESCN1C[C@@]2(N)CC[C@@H]1C2
InChIInChI=1S/C7H14N2/c1-9-5-7(8)3-2-6(9)4-7/h6H,2-5,8H2,1H3/t6-,7-/m1/s1
InChIKeyIKDYQUWTMGRZRF-RNFRBKRXSA-N
MW126.20 g/mol
LogP0.18
Rot. Bonds

About (1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-4-amine

(1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-4-amine (PubChem CID 167134996) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-4-amine.

Molecular Properties

Compound Name(1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-4-amine
PubChem CID167134996
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-4-amine
SMILESCN1C[C@@]2(N)CC[C@@H]1C2
InChIInChI=1S/C7H14N2/c1-9-5-7(8)3-2-6(9)4-7/h6H,2-5,8H2,1H3/t6-,7-/m1/s1
InChIKeyIKDYQUWTMGRZRF-RNFRBKRXSA-N
XLogP0.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-azabicyclo[2.2.2]octan-4-amine
CID 167135138
tert-butyl 4-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride
CID 155970912
(2-methyl-2-azabicyclo[2.1.1]hexan-4-yl)methanol
CID 177009446
(8R)-bicyclo[6.4.1]tridecan-1-amine
CID 146325535
1-amino-3-(4-methylpiperazin-1-yl)cyclopentane-1-carboxamide
CID 79650015
(3-amino-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 61056846
(5,5-difluoro-1-methylpiperidin-2-yl)methanamine
CID 55296928
1-amino-3-(3,3,4-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79651708
bicyclo[2.2.2]octan-1-amine
CID 550214
[1-amino-3-(3-ethyl-4-methylpiperazin-1-yl)cyclopentyl]methanol
CID 79655931
4-but-1-en-3-yn-2-yl-2-methyl-2-azabicyclo[2.2.2]octane
CID 166855630
(4R)-1-methyl-5-propyl-5-azabicyclo[2.1.1]hexane
CID 163470074

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-4-amine?
The IUPAC name of (1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-4-amine (CID 167134996) is (1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-4-amine.
What is the SMILES notation for (1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-4-amine?
The canonical SMILES for (1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-4-amine is CN1C[C@@]2(N)CC[C@@H]1C2.
What is the InChIKey of (1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-4-amine?
The InChIKey is IKDYQUWTMGRZRF-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H14N2/c1-9-5-7(8)3-2-6(9)4-7/h6H,2-5,8H2,1H3/t6-,7-/m1/s1.
What are the key properties of (1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-4-amine?
(1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-4-amine has a molecular weight of 126.20 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-4-amine is sourced from PubChem (CID 167134996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).