(2R,3S)-N-(cyclopropylmethyl)-2-methyloxolan-3-amine

C9H17NO — CID 97358188

IUPAC(2R,3S)-N-(cyclopropylmethyl)-2-methyloxolan-3-amine
SMILESC[C@H]1OCC[C@@H]1NCC1CC1
InChIInChI=1S/C9H17NO/c1-7-9(4-5-11-7)10-6-8-2-3-8/h7-10H,2-6H2,1H3/t7-,9+/m1/s1
InChIKeyQXNALQNWQSSKHQ-APPZFPTMSA-N
MW155.24 g/mol
LogP1.16
Rot. Bonds3

About (2R,3S)-N-(cyclopropylmethyl)-2-methyloxolan-3-amine

(2R,3S)-N-(cyclopropylmethyl)-2-methyloxolan-3-amine (PubChem CID 97358188) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2R,3S)-N-(cyclopropylmethyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound Name(2R,3S)-N-(cyclopropylmethyl)-2-methyloxolan-3-amine
PubChem CID97358188
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2R,3S)-N-(cyclopropylmethyl)-2-methyloxolan-3-amine
SMILESC[C@H]1OCC[C@@H]1NCC1CC1
InChIInChI=1S/C9H17NO/c1-7-9(4-5-11-7)10-6-8-2-3-8/h7-10H,2-6H2,1H3/t7-,9+/m1/s1
InChIKeyQXNALQNWQSSKHQ-APPZFPTMSA-N
XLogP1.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Cyclopropylmethoxy)pyrrolidine
CID 45075449
N-(Cyclopropylmethyl)-N-(tetrahydro-2-furanylmethyl)amine
CID 3607647
1-cyclopropyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66276529
N-[1-cyclopropyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine
CID 66276960
N-(3-fluoropropyl)-2-methyloxolan-3-amine
CID 82724932
1-cyclopropyl-2-fluoro-N-(oxolan-2-ylmethyl)ethanamine
CID 83817711
2-methyl-N-[1-(trifluoromethyl)cyclopropyl]oxolan-3-amine
CID 106210437
2-methyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine
CID 115338747
N-[1-(difluoromethyl)cyclopropyl]-2-methyloxolan-3-amine
CID 130635026
N-(2-fluoroethyl)-2,5-dimethyloxolan-3-amine
CID 130961326
n-[(2,2-Difluorocyclopropyl)methyl]-4,5-dimethyloxolan-3-amine
CID 164659795
N-ethyl-2,4,5-trimethyloxolan-3-amine;lawrencium
CID 18339631

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(cyclopropylmethyl)-2-methyloxolan-3-amine?
The IUPAC name of (2R,3S)-N-(cyclopropylmethyl)-2-methyloxolan-3-amine (CID 97358188) is (2R,3S)-N-(cyclopropylmethyl)-2-methyloxolan-3-amine.
What is the SMILES notation for (2R,3S)-N-(cyclopropylmethyl)-2-methyloxolan-3-amine?
The canonical SMILES for (2R,3S)-N-(cyclopropylmethyl)-2-methyloxolan-3-amine is C[C@H]1OCC[C@@H]1NCC1CC1.
What is the InChIKey of (2R,3S)-N-(cyclopropylmethyl)-2-methyloxolan-3-amine?
The InChIKey is QXNALQNWQSSKHQ-APPZFPTMSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-9(4-5-11-7)10-6-8-2-3-8/h7-10H,2-6H2,1H3/t7-,9+/m1/s1.
What are the key properties of (2R,3S)-N-(cyclopropylmethyl)-2-methyloxolan-3-amine?
(2R,3S)-N-(cyclopropylmethyl)-2-methyloxolan-3-amine has a molecular weight of 155.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(cyclopropylmethyl)-2-methyloxolan-3-amine is sourced from PubChem (CID 97358188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).