1-butylpyrrolidin-3-amine;dihydrochloride

C8H20Cl2N2 — CID 146675552

IUPAC1-butylpyrrolidin-3-amine;dihydrochloride
SMILESCCCCN1CCC(N)C1.Cl.Cl
InChIInChI=1S/C8H18N2.2ClH/c1-2-3-5-10-6-4-8(9)7-10;;/h8H,2-7,9H2,1H3;2*1H
InChIKeyMFVMUBRVUDVFRJ-UHFFFAOYSA-N
MW215.17 g/mol
LogP1.66
Rot. Bonds3

About 1-butylpyrrolidin-3-amine;dihydrochloride

1-butylpyrrolidin-3-amine;dihydrochloride (PubChem CID 146675552) has the molecular formula C8H20Cl2N2 and a molecular weight of 215.17 g/mol. Its IUPAC name is 1-butylpyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name1-butylpyrrolidin-3-amine;dihydrochloride
PubChem CID146675552
Molecular FormulaC8H20Cl2N2
Molecular Weight215.17 g/mol
Exact Mass214.10
IUPAC Name1-butylpyrrolidin-3-amine;dihydrochloride
SMILESCCCCN1CCC(N)C1.Cl.Cl
InChIInChI=1S/C8H18N2.2ClH/c1-2-3-5-10-6-4-8(9)7-10;;/h8H,2-7,9H2,1H3;2*1H
InChIKeyMFVMUBRVUDVFRJ-UHFFFAOYSA-N
XLogP1.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-heptylpyrrolidin-3-amine
CID 81491543
(3S)-1-nonylpyrrolidin-3-amine
CID 115302510
[(3S)-1-butylpyrrolidin-3-yl]methanamine
CID 42257234
ethane;1-pentylpiperidin-4-amine
CID 142516102
3-(3-aminopyrrolidin-1-yl)propane-1-thiol
CID 84651115
(3S)-1-pent-4-enylpyrrolidin-3-amine
CID 81491802
(3R)-1-[3-(dimethylamino)propyl]pyrrolidin-3-amine
CID 92916692
(3S)-1-ethylpyrrolidin-3-amine
CID 10678211
6-(3-aminopyrrolidin-1-yl)hexan-3-one
CID 106801405
1-(1-octylpyrrolidin-3-yl)piperidin-4-amine
CID 80553977
3-bromo-1-butylpyrrolidine
CID 80676410
4-[(3S)-3-aminopyrrolidin-1-yl]butanenitrile
CID 94340658

Frequently Asked Questions

What is the IUPAC name of 1-butylpyrrolidin-3-amine;dihydrochloride?
The IUPAC name of 1-butylpyrrolidin-3-amine;dihydrochloride (CID 146675552) is 1-butylpyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for 1-butylpyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for 1-butylpyrrolidin-3-amine;dihydrochloride is CCCCN1CCC(N)C1.Cl.Cl.
What is the InChIKey of 1-butylpyrrolidin-3-amine;dihydrochloride?
The InChIKey is MFVMUBRVUDVFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.2ClH/c1-2-3-5-10-6-4-8(9)7-10;;/h8H,2-7,9H2,1H3;2*1H.
What are the key properties of 1-butylpyrrolidin-3-amine;dihydrochloride?
1-butylpyrrolidin-3-amine;dihydrochloride has a molecular weight of 215.17 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 146675552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).