(3R,4R)-4-(oxolan-2-ylmethyl)pyrrolidin-3-amine

C9H18N2O — CID 178190984

IUPAC(3R,4R)-4-(oxolan-2-ylmethyl)pyrrolidin-3-amine
SMILESN[C@H]1CNC[C@H]1CC1CCCO1
InChIInChI=1S/C9H18N2O/c10-9-6-11-5-7(9)4-8-2-1-3-12-8/h7-9,11H,1-6,10H2/t7-,8?,9+/m1/s1
InChIKeyQJDQVULCKXJZHU-NBXIYJJMSA-N
MW170.26 g/mol
LogP0.10
Rot. Bonds2

About (3R,4R)-4-(oxolan-2-ylmethyl)pyrrolidin-3-amine

(3R,4R)-4-(oxolan-2-ylmethyl)pyrrolidin-3-amine (PubChem CID 178190984) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (3R,4R)-4-(oxolan-2-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4R)-4-(oxolan-2-ylmethyl)pyrrolidin-3-amine
PubChem CID178190984
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(3R,4R)-4-(oxolan-2-ylmethyl)pyrrolidin-3-amine
SMILESN[C@H]1CNC[C@H]1CC1CCCO1
InChIInChI=1S/C9H18N2O/c10-9-6-11-5-7(9)4-8-2-1-3-12-8/h7-9,11H,1-6,10H2/t7-,8?,9+/m1/s1
InChIKeyQJDQVULCKXJZHU-NBXIYJJMSA-N
XLogP0.10
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 64909404
2-(cyclopropylmethyl)oxolane
CID 57067840
2-[(2-bromocycloheptyl)methyl]oxolane
CID 62550191
2-(oxan-2-ylmethyl)oxane
CID 67860654
2-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 62740576
3-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 64504353
N-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 63714376
[(2R)-oxolan-2-yl]methanamine
CID 2734124
3-(oxan-2-ylmethyl)pyrrolidine
CID 104680485
4-(oxolan-2-ylmethyl)azepane
CID 126845756
N-[(4-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 63714544
N-[(4-methylpiperidin-3-yl)methyl]-2-(oxolan-2-yl)acetamide
CID 114955706

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(oxolan-2-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of (3R,4R)-4-(oxolan-2-ylmethyl)pyrrolidin-3-amine (CID 178190984) is (3R,4R)-4-(oxolan-2-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R,4R)-4-(oxolan-2-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for (3R,4R)-4-(oxolan-2-ylmethyl)pyrrolidin-3-amine is N[C@H]1CNC[C@H]1CC1CCCO1.
What is the InChIKey of (3R,4R)-4-(oxolan-2-ylmethyl)pyrrolidin-3-amine?
The InChIKey is QJDQVULCKXJZHU-NBXIYJJMSA-N. The full InChI is InChI=1S/C9H18N2O/c10-9-6-11-5-7(9)4-8-2-1-3-12-8/h7-9,11H,1-6,10H2/t7-,8?,9+/m1/s1.
What are the key properties of (3R,4R)-4-(oxolan-2-ylmethyl)pyrrolidin-3-amine?
(3R,4R)-4-(oxolan-2-ylmethyl)pyrrolidin-3-amine has a molecular weight of 170.26 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(oxolan-2-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 178190984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).