(3S)-1-[(1-methylcyclopropyl)methyl]pyrrolidin-3-amine

C9H18N2 — CID 130875890

IUPAC(3S)-1-[(1-methylcyclopropyl)methyl]pyrrolidin-3-amine
SMILESCC1(CN2CC[C@H](N)C2)CC1
InChIInChI=1S/C9H18N2/c1-9(3-4-9)7-11-5-2-8(10)6-11/h8H,2-7,10H2,1H3/t8-/m0/s1
InChIKeyDQGRAIXHEWBGAM-QMMMGPOBSA-N
MW154.26 g/mol
LogP0.82
Rot. Bonds2

About (3S)-1-[(1-methylcyclopropyl)methyl]pyrrolidin-3-amine

(3S)-1-[(1-methylcyclopropyl)methyl]pyrrolidin-3-amine (PubChem CID 130875890) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (3S)-1-[(1-methylcyclopropyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(1-methylcyclopropyl)methyl]pyrrolidin-3-amine
PubChem CID130875890
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(3S)-1-[(1-methylcyclopropyl)methyl]pyrrolidin-3-amine
SMILESCC1(CN2CC[C@H](N)C2)CC1
InChIInChI=1S/C9H18N2/c1-9(3-4-9)7-11-5-2-8(10)6-11/h8H,2-7,10H2,1H3/t8-/m0/s1
InChIKeyDQGRAIXHEWBGAM-QMMMGPOBSA-N
XLogP0.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methyloxolan-3-yl)methyl]pyrrolidin-3-amine
CID 131219232
1-[(1-methylcyclopentyl)methyl]azetidin-3-amine
CID 130577986
1-[[1-(dimethylamino)cyclopentyl]methyl]pyrrolidin-3-amine
CID 83115236
(3S)-1-ethylpyrrolidin-3-amine
CID 10678211
1-(1-adamantylmethyl)pyrrolidin-3-amine
CID 55029770
2-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]ethanol
CID 166141791
3-[(1-methylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 170374649
1-(2,2-dimethylpropyl)pyrrolidin-3-amine;dihydrochloride
CID 75994015
1-[[1-(dimethylamino)cyclopentyl]methyl]piperidin-3-amine
CID 83115160
[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 131086147
1-butylpyrrolidin-3-amine;dihydrochloride
CID 146675552
(2S)-1-(3-aminopyrrolidin-1-yl)propan-2-ol
CID 103840761

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1-methylcyclopropyl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-[(1-methylcyclopropyl)methyl]pyrrolidin-3-amine (CID 130875890) is (3S)-1-[(1-methylcyclopropyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[(1-methylcyclopropyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[(1-methylcyclopropyl)methyl]pyrrolidin-3-amine is CC1(CN2CC[C@H](N)C2)CC1.
What is the InChIKey of (3S)-1-[(1-methylcyclopropyl)methyl]pyrrolidin-3-amine?
The InChIKey is DQGRAIXHEWBGAM-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2/c1-9(3-4-9)7-11-5-2-8(10)6-11/h8H,2-7,10H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-1-[(1-methylcyclopropyl)methyl]pyrrolidin-3-amine?
(3S)-1-[(1-methylcyclopropyl)methyl]pyrrolidin-3-amine has a molecular weight of 154.26 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1-methylcyclopropyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 130875890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).