(3R,4R)-4-(cyclobutylmethyl)pyrrolidin-3-amine

C9H18N2 — CID 178190989

IUPAC(3R,4R)-4-(cyclobutylmethyl)pyrrolidin-3-amine
SMILESN[C@H]1CNC[C@H]1CC1CCC1
InChIInChI=1S/C9H18N2/c10-9-6-11-5-8(9)4-7-2-1-3-7/h7-9,11H,1-6,10H2/t8-,9+/m1/s1
InChIKeySXXGCJNMNDHUSN-BDAKNGLRSA-N
MW154.26 g/mol
LogP0.72
Rot. Bonds2

About (3R,4R)-4-(cyclobutylmethyl)pyrrolidin-3-amine

(3R,4R)-4-(cyclobutylmethyl)pyrrolidin-3-amine (PubChem CID 178190989) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (3R,4R)-4-(cyclobutylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4R)-4-(cyclobutylmethyl)pyrrolidin-3-amine
PubChem CID178190989
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(3R,4R)-4-(cyclobutylmethyl)pyrrolidin-3-amine
SMILESN[C@H]1CNC[C@H]1CC1CCC1
InChIInChI=1S/C9H18N2/c10-9-6-11-5-8(9)4-7-2-1-3-7/h7-9,11H,1-6,10H2/t8-,9+/m1/s1
InChIKeySXXGCJNMNDHUSN-BDAKNGLRSA-N
XLogP0.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclohexylmethyl)piperidin-3-amine
CID 84774080
(3R,4R)-4-(oxolan-2-ylmethyl)pyrrolidin-3-amine
CID 178190984
(3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol
CID 46939140
[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methanol
CID 70306574
3-(cyclobutylmethyl)-4-methylpiperidine
CID 106779274
[(3S,4S)-4-aminopyrrolidin-3-yl]methanol
CID 10866309
3-(cyclobutylmethyl)-4-methoxypiperidine
CID 84732567
3-(cyclopropylmethyl)-4-methoxypyrrolidine
CID 84731345
cis-(1R,2S)-3-[(3-aminocyclohexyl)methyl]cyclohexane-1,2-diamine
CID 142912059
3-(cyclopropylmethyl)azetidine
CID 62314893
2-(4-aminopyrrolidin-3-yl)acetonitrile
CID 105427251
1-(azetidin-3-yl)-2-cyclobutylethanol
CID 105430410

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(cyclobutylmethyl)pyrrolidin-3-amine?
The IUPAC name of (3R,4R)-4-(cyclobutylmethyl)pyrrolidin-3-amine (CID 178190989) is (3R,4R)-4-(cyclobutylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R,4R)-4-(cyclobutylmethyl)pyrrolidin-3-amine?
The canonical SMILES for (3R,4R)-4-(cyclobutylmethyl)pyrrolidin-3-amine is N[C@H]1CNC[C@H]1CC1CCC1.
What is the InChIKey of (3R,4R)-4-(cyclobutylmethyl)pyrrolidin-3-amine?
The InChIKey is SXXGCJNMNDHUSN-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18N2/c10-9-6-11-5-8(9)4-7-2-1-3-7/h7-9,11H,1-6,10H2/t8-,9+/m1/s1.
What are the key properties of (3R,4R)-4-(cyclobutylmethyl)pyrrolidin-3-amine?
(3R,4R)-4-(cyclobutylmethyl)pyrrolidin-3-amine has a molecular weight of 154.26 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(cyclobutylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 178190989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).