(3R,4R)-4,5-dimethyl-2-methylideneoxolan-3-amine

C7H13NO — CID 89103186

IUPAC(3R,4R)-4,5-dimethyl-2-methylideneoxolan-3-amine
SMILESC=C1OC(C)[C@H](C)[C@H]1N
InChIInChI=1S/C7H13NO/c1-4-5(2)9-6(3)7(4)8/h4-5,7H,3,8H2,1-2H3/t4-,5?,7+/m0/s1
InChIKeyDUNLAVRKARKPII-RMIHLSNLSA-N
MW127.19 g/mol
LogP0.88
Rot. Bonds

About (3R,4R)-4,5-dimethyl-2-methylideneoxolan-3-amine

(3R,4R)-4,5-dimethyl-2-methylideneoxolan-3-amine (PubChem CID 89103186) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3R,4R)-4,5-dimethyl-2-methylideneoxolan-3-amine.

Molecular Properties

Compound Name(3R,4R)-4,5-dimethyl-2-methylideneoxolan-3-amine
PubChem CID89103186
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3R,4R)-4,5-dimethyl-2-methylideneoxolan-3-amine
SMILESC=C1OC(C)[C@H](C)[C@H]1N
InChIInChI=1S/C7H13NO/c1-4-5(2)9-6(3)7(4)8/h4-5,7H,3,8H2,1-2H3/t4-,5?,7+/m0/s1
InChIKeyDUNLAVRKARKPII-RMIHLSNLSA-N
XLogP0.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

rac-(3R,4S)-4-(prop-2-en-1-yl)oxolan-3-amine, cis
CID 124660513
2-Methyl-5-methylideneoxolan-3-amine
CID 23403346
trans-4-Allyltetrahydrofuran-3-amine
CID 76224457
2-Ethoxy-5-methylhex-1-en-3-amine
CID 88997329
CID 89772357
CID 89772357
3-Butoxy-5-methylhepta-1,2-dien-4-amine
CID 139394807
(3S,4S)-4-prop-2-enyloxolan-3-amine
CID 55289757
(3R,4S)-4-prop-2-enyloxolan-3-amine
CID 55289758
1-(2-Methyloxolan-3-yl)prop-2-en-1-amine
CID 105001037
(3R,4R)-4-prop-2-enyloxolan-3-amine
CID 124660512

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4,5-dimethyl-2-methylideneoxolan-3-amine?
The IUPAC name of (3R,4R)-4,5-dimethyl-2-methylideneoxolan-3-amine (CID 89103186) is (3R,4R)-4,5-dimethyl-2-methylideneoxolan-3-amine.
What is the SMILES notation for (3R,4R)-4,5-dimethyl-2-methylideneoxolan-3-amine?
The canonical SMILES for (3R,4R)-4,5-dimethyl-2-methylideneoxolan-3-amine is C=C1OC(C)[C@H](C)[C@H]1N.
What is the InChIKey of (3R,4R)-4,5-dimethyl-2-methylideneoxolan-3-amine?
The InChIKey is DUNLAVRKARKPII-RMIHLSNLSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-5(2)9-6(3)7(4)8/h4-5,7H,3,8H2,1-2H3/t4-,5?,7+/m0/s1.
What are the key properties of (3R,4R)-4,5-dimethyl-2-methylideneoxolan-3-amine?
(3R,4R)-4,5-dimethyl-2-methylideneoxolan-3-amine has a molecular weight of 127.19 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4,5-dimethyl-2-methylideneoxolan-3-amine is sourced from PubChem (CID 89103186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).