N'-(3-amino-1,1,2,2,3,3-hexadeuteriopropyl)-1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine

C6H17N3 — CID 131708610

IUPACN'-(3-amino-1,1,2,2,3,3-hexadeuteriopropyl)-1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine
SMILES[2H]C([2H])(N)C([2H])([2H])C([2H])([2H])NC([2H])([2H])C([2H])([2H])C([2H])([2H])N
InChIInChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2/i1D2,2D2,3D2,4D2,5D2,6D2
InChIKeyOTBHHUPVCYLGQO-LBTWDOQPSA-N
MW143.30 g/mol
LogP-0.73
Rot. Bonds6

About N'-(3-amino-1,1,2,2,3,3-hexadeuteriopropyl)-1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine

N'-(3-amino-1,1,2,2,3,3-hexadeuteriopropyl)-1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine (PubChem CID 131708610) has the molecular formula C6H17N3 and a molecular weight of 143.30 g/mol. Its IUPAC name is N'-(3-amino-1,1,2,2,3,3-hexadeuteriopropyl)-1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-amino-1,1,2,2,3,3-hexadeuteriopropyl)-1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine
PubChem CID131708610
Molecular FormulaC6H17N3
Molecular Weight143.30 g/mol
Exact Mass143.22
IUPAC NameN'-(3-amino-1,1,2,2,3,3-hexadeuteriopropyl)-1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine
SMILES[2H]C([2H])(N)C([2H])([2H])C([2H])([2H])NC([2H])([2H])C([2H])([2H])C([2H])([2H])N
InChIInChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2/i1D2,2D2,3D2,4D2,5D2,6D2
InChIKeyOTBHHUPVCYLGQO-LBTWDOQPSA-N
XLogP-0.73
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.30
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 23635842
2-amino-2,2-dideuterioethanol
CID 13000292
N'-(3-aminopropyl)-N,N,1,1,2,2,3,3-octadeuteriobutane-1,4-diamine
CID 138454344
6-amino-3,3,4,4,5,5,6,6-octadeuteriohexanoic acid
CID 46245160
2-bromo-1,1,2,2-tetradeuterioethanamine;hydrobromide
CID 76974623
N-(2-adamantyl)-1,1,2,2-tetradeuterioethane-1,2-diamine
CID 169432790
(2S)-2,5-diamino-2,3,3,4,4,5,5-heptadeuteriopentanoic acid
CID 162343667
bis(N'-(2-aminoethyl)ethane-1,2-diamine);antimony(5+);dysprosium(3+);tetrasulfide
CID 139196463
CID 173101067
CID 173101067
1,1,2,2,3,3,3-heptadeuteriopropan-1-amine;hydrochloride
CID 90472115
3-chloro-1,1-dideuteriopropan-1-amine;hydrochloride
CID 175126730
2-deuteriopropan-1-amine
CID 164969480

Frequently Asked Questions

What is the IUPAC name of N'-(3-amino-1,1,2,2,3,3-hexadeuteriopropyl)-1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine?
The IUPAC name of N'-(3-amino-1,1,2,2,3,3-hexadeuteriopropyl)-1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine (CID 131708610) is N'-(3-amino-1,1,2,2,3,3-hexadeuteriopropyl)-1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine.
What is the SMILES notation for N'-(3-amino-1,1,2,2,3,3-hexadeuteriopropyl)-1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine?
The canonical SMILES for N'-(3-amino-1,1,2,2,3,3-hexadeuteriopropyl)-1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine is [2H]C([2H])(N)C([2H])([2H])C([2H])([2H])NC([2H])([2H])C([2H])([2H])C([2H])([2H])N.
What is the InChIKey of N'-(3-amino-1,1,2,2,3,3-hexadeuteriopropyl)-1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine?
The InChIKey is OTBHHUPVCYLGQO-LBTWDOQPSA-N. The full InChI is InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2/i1D2,2D2,3D2,4D2,5D2,6D2.
What are the key properties of N'-(3-amino-1,1,2,2,3,3-hexadeuteriopropyl)-1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine?
N'-(3-amino-1,1,2,2,3,3-hexadeuteriopropyl)-1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine has a molecular weight of 143.30 g/mol, XLogP of -0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-amino-1,1,2,2,3,3-hexadeuteriopropyl)-1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine is sourced from PubChem (CID 131708610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).