N-cyclopropyl-1-methylpyrrolidin-3-amine;ethane;N-methylpropan-1-amine;1-methylpyrrolidine

C21H50N4 — CID 167502882

IUPACN-cyclopropyl-1-methylpyrrolidin-3-amine;ethane;N-methylpropan-1-amine;1-methylpyrrolidine
SMILESCC.CC.CCCNC.CN1CCC(NC2CC2)C1.CN1CCCC1
InChIInChI=1S/C8H16N2.C5H11N.C4H11N.2C2H6/c1-10-5-4-8(6-10)9-7-2-3-7;1-6-4-2-3-5-6;1-3-4-5-2;2*1-2/h7-9H,2-6H2,1H3;2-5H2,1H3;5H,3-4H2,1-2H3;2*1-2H3
InChIKeyYMGFJESZTZVUCK-UHFFFAOYSA-N
MW358.66 g/mol
LogP3.82
Rot. Bonds4

About N-cyclopropyl-1-methylpyrrolidin-3-amine;ethane;N-methylpropan-1-amine;1-methylpyrrolidine

N-cyclopropyl-1-methylpyrrolidin-3-amine;ethane;N-methylpropan-1-amine;1-methylpyrrolidine (PubChem CID 167502882) has the molecular formula C21H50N4 and a molecular weight of 358.66 g/mol. Its IUPAC name is N-cyclopropyl-1-methylpyrrolidin-3-amine;ethane;N-methylpropan-1-amine;1-methylpyrrolidine.

Molecular Properties

Compound NameN-cyclopropyl-1-methylpyrrolidin-3-amine;ethane;N-methylpropan-1-amine;1-methylpyrrolidine
PubChem CID167502882
Molecular FormulaC21H50N4
Molecular Weight358.66 g/mol
Exact Mass358.40
IUPAC NameN-cyclopropyl-1-methylpyrrolidin-3-amine;ethane;N-methylpropan-1-amine;1-methylpyrrolidine
SMILESCC.CC.CCCNC.CN1CCC(NC2CC2)C1.CN1CCCC1
InChIInChI=1S/C8H16N2.C5H11N.C4H11N.2C2H6/c1-10-5-4-8(6-10)9-7-2-3-7;1-6-4-2-3-5-6;1-3-4-5-2;2*1-2/h7-9H,2-6H2,1H3;2-5H2,1H3;5H,3-4H2,1-2H3;2*1-2H3
InChIKeyYMGFJESZTZVUCK-UHFFFAOYSA-N
XLogP3.82
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.66
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-methylazepan-4-amine
CID 65071330
(3R)-1-methyl-N-propylpyrrolidin-3-amine
CID 93285609
N-(1-ethylpiperidin-3-yl)-1-methylazepan-4-amine
CID 65070247
butane;N,1-dimethylpiperidin-3-amine
CID 91437867
N-cyclopentyl-1-methylpiperidin-4-amine;dihydrochloride
CID 53408550
1-methyl-N-(oxan-4-yl)pyrrolidin-3-amine
CID 61462196
ethane;N-ethyl-1-methylpyrrolidin-3-amine
CID 145338055
1-methyl-N-(oxetan-3-yl)pyrrolidin-3-amine
CID 63623290
N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 115197757
N-(1-methylpyrrolidin-3-yl)azepan-4-amine
CID 103981819
N-cyclopropyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-3-amine
CID 114516764
N,1-dimethylpyrrolidin-3-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 162222118

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methylpyrrolidin-3-amine;ethane;N-methylpropan-1-amine;1-methylpyrrolidine?
The IUPAC name of N-cyclopropyl-1-methylpyrrolidin-3-amine;ethane;N-methylpropan-1-amine;1-methylpyrrolidine (CID 167502882) is N-cyclopropyl-1-methylpyrrolidin-3-amine;ethane;N-methylpropan-1-amine;1-methylpyrrolidine.
What is the SMILES notation for N-cyclopropyl-1-methylpyrrolidin-3-amine;ethane;N-methylpropan-1-amine;1-methylpyrrolidine?
The canonical SMILES for N-cyclopropyl-1-methylpyrrolidin-3-amine;ethane;N-methylpropan-1-amine;1-methylpyrrolidine is CC.CC.CCCNC.CN1CCC(NC2CC2)C1.CN1CCCC1.
What is the InChIKey of N-cyclopropyl-1-methylpyrrolidin-3-amine;ethane;N-methylpropan-1-amine;1-methylpyrrolidine?
The InChIKey is YMGFJESZTZVUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C5H11N.C4H11N.2C2H6/c1-10-5-4-8(6-10)9-7-2-3-7;1-6-4-2-3-5-6;1-3-4-5-2;2*1-2/h7-9H,2-6H2,1H3;2-5H2,1H3;5H,3-4H2,1-2H3;2*1-2H3.
What are the key properties of N-cyclopropyl-1-methylpyrrolidin-3-amine;ethane;N-methylpropan-1-amine;1-methylpyrrolidine?
N-cyclopropyl-1-methylpyrrolidin-3-amine;ethane;N-methylpropan-1-amine;1-methylpyrrolidine has a molecular weight of 358.66 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methylpyrrolidin-3-amine;ethane;N-methylpropan-1-amine;1-methylpyrrolidine is sourced from PubChem (CID 167502882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).