1,1,2,2,3,3,3-heptadeuteriopropan-1-amine;hydrochloride

C3H10ClN — CID 90472115

IUPAC1,1,2,2,3,3,3-heptadeuteriopropan-1-amine;hydrochloride
SMILESCl.[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N
InChIInChI=1S/C3H9N.ClH/c1-2-3-4;/h2-4H2,1H3;1H/i1D3,2D2,3D2;
InChIKeyPYNUOAIJIQGACY-DEPOAORMSA-N
MW102.62 g/mol
LogP0.78
Rot. Bonds2

About 1,1,2,2,3,3,3-heptadeuteriopropan-1-amine;hydrochloride

1,1,2,2,3,3,3-heptadeuteriopropan-1-amine;hydrochloride (PubChem CID 90472115) has the molecular formula C3H10ClN and a molecular weight of 102.62 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptadeuteriopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptadeuteriopropan-1-amine;hydrochloride
PubChem CID90472115
Molecular FormulaC3H10ClN
Molecular Weight102.62 g/mol
Exact Mass102.09
IUPAC Name1,1,2,2,3,3,3-heptadeuteriopropan-1-amine;hydrochloride
SMILESCl.[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N
InChIInChI=1S/C3H9N.ClH/c1-2-3-4;/h2-4H2,1H3;1H/i1D3,2D2,3D2;
InChIKeyPYNUOAIJIQGACY-DEPOAORMSA-N
XLogP0.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.62
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,26-tetrapentacontadeuteriohexacosane
CID 101036681
3-bromo-1,1,1,2,2-pentadeuteriopropane
CID 87158704
magnesium;1,1,1,2,2,3,3-heptadeuteriobutane;chloride
CID 58532645
tris(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)stannanylium
CID 171703377
1,1,1,2,2,3,3,4,4,5,5,6,7,7,7-pentadecadeuterio-6-methylheptane
CID 524592
sodium 2,2,3,3,4,4,5,5,5-nonadeuteriopentanoate
CID 172990096
1-amino-1,1,2,3,3,3-hexadeuteriopropan-2-ol
CID 123598986
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosadeuteriodecan-1-ol
CID 101266014
sodium 2,2,3,3,4,4,5,5,6,6,6-undecadeuteriohexanoate
CID 90472108
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuteriononanamide
CID 156800033
2-amino-4,4,5,5,5-pentadeuteriopentanoic acid
CID 171036198
2-amino-2,2-dideuterioethanol
CID 13000292

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,3-heptadeuteriopropan-1-amine;hydrochloride?
The IUPAC name of 1,1,2,2,3,3,3-heptadeuteriopropan-1-amine;hydrochloride (CID 90472115) is 1,1,2,2,3,3,3-heptadeuteriopropan-1-amine;hydrochloride.
What is the SMILES notation for 1,1,2,2,3,3,3-heptadeuteriopropan-1-amine;hydrochloride?
The canonical SMILES for 1,1,2,2,3,3,3-heptadeuteriopropan-1-amine;hydrochloride is Cl.[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N.
What is the InChIKey of 1,1,2,2,3,3,3-heptadeuteriopropan-1-amine;hydrochloride?
The InChIKey is PYNUOAIJIQGACY-DEPOAORMSA-N. The full InChI is InChI=1S/C3H9N.ClH/c1-2-3-4;/h2-4H2,1H3;1H/i1D3,2D2,3D2;.
What are the key properties of 1,1,2,2,3,3,3-heptadeuteriopropan-1-amine;hydrochloride?
1,1,2,2,3,3,3-heptadeuteriopropan-1-amine;hydrochloride has a molecular weight of 102.62 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptadeuteriopropan-1-amine;hydrochloride is sourced from PubChem (CID 90472115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).