N-[2-[(3S)-pyrrolidin-3-yl]ethyl]cyclopropanamine

C9H18N2 — CID 71636554

IUPACN-[2-[(3S)-pyrrolidin-3-yl]ethyl]cyclopropanamine
SMILESC1C[C@@H](CCNC2CC2)CN1
InChIInChI=1S/C9H18N2/c1-2-9(1)11-6-4-8-3-5-10-7-8/h8-11H,1-7H2/t8-/m0/s1
InChIKeyPTVCPKVRCYEPCA-QMMMGPOBSA-N
MW154.26 g/mol
LogP0.74
Rot. Bonds4

About N-[2-[(3S)-pyrrolidin-3-yl]ethyl]cyclopropanamine

N-[2-[(3S)-pyrrolidin-3-yl]ethyl]cyclopropanamine (PubChem CID 71636554) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-[2-[(3S)-pyrrolidin-3-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3S)-pyrrolidin-3-yl]ethyl]cyclopropanamine
PubChem CID71636554
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-[2-[(3S)-pyrrolidin-3-yl]ethyl]cyclopropanamine
SMILESC1C[C@@H](CCNC2CC2)CN1
InChIInChI=1S/C9H18N2/c1-2-9(1)11-6-4-8-3-5-10-7-8/h8-11H,1-7H2/t8-/m0/s1
InChIKeyPTVCPKVRCYEPCA-QMMMGPOBSA-N
XLogP0.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-piperidin-4-ylethyl)cyclopropanamine
CID 16640897
N-(2-piperidin-3-ylethyl)cycloheptanamine
CID 62675109
N-(2-piperidin-4-ylethyl)cyclohexanamine
CID 61150995
N-(pyrrolidin-3-ylmethyl)cyclopropanamine;dihydrochloride
CID 139036091
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
N-(2-pyrrolidin-3-ylethylsulfamoyl)cyclopropanamine
CID 114810747
N-(3-piperidin-3-ylpropyl)cyclobutanamine
CID 62416566
N-[2-[(3S)-pyrrolidin-3-yl]ethyl]propan-2-amine;hydrochloride
CID 71637413
N-(pyrrolidin-3-ylmethyl)cyclohexanamine
CID 63006333
2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 63624155
3-(2-iodoethyl)pyrrolidine
CID 71648953
2-methyl-N-(2-piperidin-3-ylethyl)cyclopropan-1-amine
CID 62674400

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-pyrrolidin-3-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[(3S)-pyrrolidin-3-yl]ethyl]cyclopropanamine (CID 71636554) is N-[2-[(3S)-pyrrolidin-3-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3S)-pyrrolidin-3-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3S)-pyrrolidin-3-yl]ethyl]cyclopropanamine is C1C[C@@H](CCNC2CC2)CN1.
What is the InChIKey of N-[2-[(3S)-pyrrolidin-3-yl]ethyl]cyclopropanamine?
The InChIKey is PTVCPKVRCYEPCA-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-9(1)11-6-4-8-3-5-10-7-8/h8-11H,1-7H2/t8-/m0/s1.
What are the key properties of N-[2-[(3S)-pyrrolidin-3-yl]ethyl]cyclopropanamine?
N-[2-[(3S)-pyrrolidin-3-yl]ethyl]cyclopropanamine has a molecular weight of 154.26 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-pyrrolidin-3-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 71636554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).